SCHEMBL8083048

SCHEMBL8083048

CCCC(=O)c1ccc(CC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTGS1 P23219 3/20 0.49
PTGS2 P35354 3/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49

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
SCHEMBL30089557 0.90 PTGS1 (0.53) L3MBTL1PTGS1PTGS2LMNACYP2C9
SCHEMBL8959879 0.89 HSD17B3 (0.61) HSD17B3L3MBTL1THRATHRBSTS
SCHEMBL8114139 0.88 HSD17B3 (0.62) HSD17B3THRATHRBSTSHTR7
SCHEMBL9335675 0.86 HSD17B3 (0.63) HSD17B3THRATHRBSTSHTR7
SCHEMBL9335705 0.86 HSD17B3 (0.63) HSD17B3THRATHRBSTSHTR7
SCHEMBL14297902 0.85 BLM (0.55) L3MBTL1HPGDSMN1; SMN2PTGS1PTGS2
SCHEMBL9441163 0.85 TRPA1 (0.53) HPGDSMN1; SMN2PTGS1PTGS2LMNA
SCHEMBL2140146 0.85 PTGS1 (0.52) L3MBTL1HPGDSMN1; SMN2PTGS1PTGS2
SCHEMBL3526490 0.84 USP5 (0.64) L3MBTL1SMN1; SMN2PTGS1PTGS2LMNA
SCHEMBL9394922 0.84 FAAH (0.51) HPGDSMN1; SMN2PTGS1PTGS2LMNA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
JP-2000026344-A PRODUCTION OF OPTICALLY ACTIVE 1-(4-ISOBUTYLPHENYL)BUTAN-1- OL NOYORI RYOJI 2000-01-25 JP disclosed
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
WO-1994018168-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-18 WO disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 WO disclosed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP disclosed
US-4713485-A A, A-DIHALOGENATED KETONES HEATED UNDER PRESSURE WITH AQUEOUS ALKALINE METAL HYDROXIDE AND NON-POLAR HYDROCARBON SOLVENTS SANOFI and Industria Chimica Prodotti FRANCIS S.p.A. (FR) 1987-12-15 US disclosed
US-4675419-A Process for preparing α-hydroxy-acids and compounds obtained by this process SANOFI (FR) 1987-06-23 US disclosed