SCHEMBL6932144

SCHEMBL6932144

O=C(O)Cc1ccccc1Sc1ccc(OCc2ccc3cc(Cl)ccc3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYSLTR1 Q9Y271 5/20 0.45
CYSLTR2 Q9NS75 3/20 0.45
GPBAR1 Q8TDU6 2/20 0.45
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
ALOX5 P09917 2/20 0.43
ALOX5AP P20292 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CTSD P07339 1/20 0.42
PDE10A Q9Y233 2/20 0.42

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
SCHEMBL6937207 0.91 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6934343 0.88 GPBAR1 (0.59) MMP2MMP9MMP12CYP2C9HPGD
SCHEMBL6932132 0.81 GPBAR1 (0.60) CYSLTR1CYSLTR2GPBAR1ALOX5ALOX5AP
SCHEMBL6932836 0.79 CYSLTR1 (0.51) CYP2C9CYP2C19CYSLTR1CYSLTR2GPBAR1
SCHEMBL27971821 0.75 CYP2C9 (0.72) MMP2MMP9MMP12CYP2C9HPGD
SCHEMBL6932157 0.74 FFAR1 (0.67) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL6089876 0.73 GPBAR1 (0.68) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL6932297 0.73 GPBAR1 (0.65) CYP2C9CYP2C19CYSLTR1CYSLTR2GPBAR1
SCHEMBL9054127 0.72 FFAR1 (0.55) CYSLTR1CYSLTR2GPBAR1FFAR1AKR1B1
SCHEMBL5658878 0.71 CYP2C9 (0.66) MMP2MMP9MMP12CYP2C9HPGD

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