SCHEMBL7052082

SCHEMBL7052082

CCc1c(C(=O)O)cc(C(C)(C)C)c(O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
CYP2C19 P33261 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP2C9 P11712 3/20 0.41
HIF1A Q16665 3/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CA2 P00918 2/20 0.40
POLB P06746 1/20 0.40
TYR P14679 1/20 0.40
HSPA5 P11021 2/20 0.39
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 3/20 0.38
KMT2A Q03164 3/20 0.38
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL27852409 0.84 GLRA3 (0.47) GLRA3GLRBCYP2C19SMN1; SMN2CYP2C9
SCHEMBL28648461 0.81 GLRA3 (0.55) GLRA3GLRBCYP2C19SMN1; SMN2CYP2C9
SCHEMBL28661953 0.80 HMGB1 (0.41) CYP2C9ALDH1A1POLBKMT2ATDP1
SCHEMBL7050926 0.80 HMGB1 (0.49) CYP2C9ALDH1A1CYP3A4KMT2ATDP1
SCHEMBL10000643 0.78 CYP2C19 (0.52) GLRA3GLRBCYP2C19SMN1; SMN2CYP2C9
SCHEMBL28622237 0.77 GLRA3 (0.36) GLRA3GLRBCYP2C19SMN1; SMN2CYP2C9
SCHEMBL10884556 0.75 GLRA3 (0.45) GLRA3GLRBCYP2C19SMN1; SMN2CYP2C9
SCHEMBL15005537 0.75 ALOX15 (0.48) GLRA3GLRBCYP2C19SMN1; SMN2CYP2C9
SCHEMBL5000262 0.75 GLRA3 (0.52) GLRA3GLRBCYP2C19SMN1; SMN2CYP2C9
SCHEMBL30893094 0.75 GLRA3 (0.52) GLRA3GLRBCYP2C19SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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