SCHEMBL6932450

SCHEMBL6932450

COC(=O)Cc1ccccc1Sc1ccc(O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.54
MMP9 P14780 5/20 0.54
MMP12 P39900 5/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2D6 P10635 2/20 0.54
MMP14 P50281 1/20 0.54
GFER P55789 1/20 0.53
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ESRRB O95718 1/20 0.43
KDM4E B2RXH2 2/20 0.42
EGFR P00533 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL6935290 0.86 SMN1; SMN2 (0.60) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL9360605 0.82 MMP2 (0.49) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL6933325 0.81 CYP2C9 (0.74) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL6935101 0.80 MMP2 (0.53) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL10407407 0.79 CYP2C9 (0.63) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL9151160 0.79 MMP2 (0.54) MMP2MMP9MMP12MMP14MEN1
SCHEMBL14712746 0.78 MMP2 (0.50) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL9430367 0.78 LMNA (0.51) MMP2MMP9MMP12MMP14HPGD
SCHEMBL9148637 0.77 MMP2 (0.49) MMP2MMP9MMP12CYP2C9CYP2C19
SCHEMBL6934357 0.76 CYP4F2 (0.54) GFERSMN1; SMN2LMNAALDH1A1GAA

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-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed