SCHEMBL2724646

SCHEMBL2724646

CC(=O)[C@H]1CCC2C3CCC4=CC(=O)CC(O)[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.67
LMNA P02545 6/20 0.67
SERPINA6 P08185 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
TSHR P16473 4/20 0.67
MAPT P10636 4/20 0.67
MAPK1 P28482 4/20 0.67
ALDH1A1 P00352 4/20 0.67
GPBAR1 Q8TDU6 4/20 0.67
SHBG P04278 4/20 0.67
NR3C1 P04150 3/20 0.67
PGR P06401 3/20 0.67
AR P10275 3/20 0.67
SIGMAR1 Q99720 3/20 0.67
CYP2C9 P11712 2/20 0.67
HIF1A Q16665 2/20 0.67
NR3C2 P08235 2/20 0.67
ABCB11 O95342 2/20 0.67
CYP2C19 P33261 1/20 0.67
KDM4E B2RXH2 1/20 0.67

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3661927 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL3509140 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL5436459 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL8069 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL1457788 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL571703 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL25333984 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
SCHEMBL4747200 1.00 CYP3A4 (0.67) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL3198033 0.99 CYP3A4 (0.66) CYP3A4LMNASERPINA6SMN1; SMN2TSHR
Bicarbonate SCHEMBL6684636 0.98 CYP3A4 (0.65) CYP3A4LMNASERPINA6SMN1; SMN2TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2116249-B2 Pharmaceutical compound containing gestagens and/or oestrogens and 5-methyl-(6S)-tetrahydrofolates BAYER IP GMBH (DE) 2023-04-05 EP claimed
EP-3544685-B1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEV CT BIOTECHNOLOGY (TW) 2023-01-04 EP claimed
EP-3411036-B1 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS PHARMAENGINE INC (TW) 2021-12-29 EP claimed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP claimed
EP-3356305-B1 POLYPHOSPHATE GLASS MICROSPHERES, METHODS OF MAKING AND USES THEREOF UNIV DALHOUSIE (CA) 2020-11-04 EP claimed
EP-2968316-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2019-08-07 EP claimed
EP-2225235-B1 THIAZOLE CARBOXAMIDE DERIVATIVES AND THEIR USE TO TREAT CANCER MERCK SHARP & DOHME (US) 2017-09-06 EP claimed
EP-1912658-B1 THERAPEUTIC PROTOCOLS USING HYALURONAN ALCHEMIA ONCOLOGY PTY LTD (AU) 2017-01-25 EP claimed
EP-2820017-B1 PYRIDINYL AND PYRIMIDINYL SULFOXIDE AND SULFONE DERIVATIVES GENENTECH INC (US) 2016-12-21 EP claimed
EP-2820008-B1 AMIDO SPIROCYCLIC AMIDE AND SULFONAMIDE DERIVATIVES GENENTECH INC (US) 2016-12-14 EP claimed
EP-2032123-B1 USE OF A HYDROPHILIC MATRIX COMPRISING A POLYACRYLIC ACID DERIVATIVE, A CELLULOSE ETHER AND A DISINTEGRANT FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING FEMALE GENITAL DISORDERS POLICHEM SA (LU) 2010-01-20 EP claimed
EP-1888077-B1 PHARMACEUTICAL COMPOSITION CONTAINING GESTAGENS AND/OR ESTROGENS AND 5-METHYL-(6S)-TETRAHYDROFOLATE BAYER SCHERING PHARMA AG (DE) 2009-04-29 EP claimed
EP-1462107-B1 Method of female contraception and kit for use in such method PANTARHEI BIOSCIENCE BV (NL) 2008-09-24 EP claimed
EP-1313873-B1 MODIFIED YEASTS AND USES THEREOF, IN PARTICULAR FOR PRODUCING STEROID DERIVATIVES AVENTIS PHARMA SA (FR) 2008-03-26 EP claimed
EP-1295600-B1 Medicament based on gestagens for dermal application comprising ascorbic acid and/or salts thereof KADE PHARMA FAB GMBH (DE) 2006-04-05 EP claimed
EP-1293210-B1 Means and method for hormonal contraception PANTARHEI BIOSCIENCE BV (NL) 2003-11-19 EP claimed
EP-0722720-B1 Novel sugar coating composition for application to compressed medicinal tablets AMERICAN HOME PROD (US) 1999-10-13 EP claimed
EP-0491803-B1 IMPLANTABLE DELIVERY DISPENSER ALZA CORP (US) 1994-07-20 EP claimed
EP-0500793-B1 OSMOTIC, ORAL DOSAGE FORM FOR FERTILITY CONTROL ALZA CORP (US) 1993-11-03 EP claimed
EP-0472645-B1 OSMOTIC DOSAGE FORM ALZA CORPORATION (US) 1993-07-14 EP claimed