SCHEMBL7052993

SCHEMBL7052993

O=C(O)c1ccc(CCO)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
EPHX2 P34913 2/20 0.49
NR1H4 Q96RI1 1/20 0.49
NR4A2 P43354 2/20 0.46
SRD5A2 P31213 3/20 0.46
TTR P02766 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
ALOX15 P16050 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL6659614 0.85 TSHR (0.61) TSHREPHX2NR1H4NR4A2SRD5A2
SCHEMBL25221325 0.84 TSHR (0.55) TSHREPHX2NR1H4NR4A2SRD5A2
SCHEMBL4810977 0.84 PKM (0.47) EPHX2NR1H4ALDH1A1MAPTMRGPRX4
SCHEMBL14037607 0.84 TSHR (0.55) TSHREPHX2NR1H4NR4A2SRD5A2
SCHEMBL9185167 0.84 TSHR (0.55) TSHREPHX2NR1H4NR4A2SRD5A2
SCHEMBL27885537 0.82 TSHR (0.44) TSHRSRD5A2ALDH1A1MAPTRARA
Hydrochloric Acid SCHEMBL3656362 0.82 TSHR (0.53) TSHREPHX2NR1H4NR4A2SRD5A2
SCHEMBL17198001 0.81 TSHR (0.61) TSHREPHX2NR1H4NR4A2SRD5A2
SCHEMBL15660720 0.81 RARB (0.54) TSHREPHX2NR1H4ALDH1A1MAPT
SCHEMBL8293311 0.80 TSHR (0.50) TSHREPHX2NR1H4NR4A2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234552-A2 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-0791590-B1 Benzothiophenes, and formulations and methods using same LILLY CO ELI (US) 2003-05-02 EP disclosed
US-6432982-B1 TREATING POST-MENOPAUSAL WOMEN HAVING OSTEOPOROSIS, CARDIOVASCULAR DISORDERS AND ESTROGEN-DEPENDENT CANCER; RESTENOSIS INHIBITION; ENDOMETRIOSIS ELI LILLY AND COMPANY 2002-08-13 US disclosed
WO-1997030985-A1 BENZOTHIOPHENES, AND FORMULATIONS AND METHODS, USING SAME ELI LILLY AND COMPANY (US) 1997-08-28 WO disclosed
EP-0791590-A1 Benzothiophenes, and formulations and methods using same ELI LILLY AND COMPANY (US) 1997-08-27 EP disclosed