SCHEMBL7074813

SCHEMBL7074813

O=C(c1ccccc1)C(O)(Sc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.44
SRC P12931 1/20 0.41
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
PLIN1 O60240 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PLIN5 Q00G26 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABHD5 Q8WTS1 1/20 0.37
CES2 O00748 2/20 0.37
TSHR P16473 2/20 0.37
DAO P14920 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
CYP1A2 P05177 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL15284796 0.89 CES1 (0.44) CES1SRCALDH1A1HPGDMAPT
SCHEMBL6427462 0.79 CES1 (0.50) CES1SRCALDH1A1MAPTCES2
SCHEMBL6142597 0.79 CES1 (0.46) CES1SRCALDH1A1HPGDMAPT
SCHEMBL6405062 0.75 HDAC3 (0.41) ALDH1A1HPGDMAPTLMNAHTT
SCHEMBL7074212 0.75 CES1 (0.46) CES1SRCALDH1A1HPGDMAPT
SCHEMBL9772271 0.73 CES1 (0.47) CES1SRCALDH1A1HPGDMAPT
SCHEMBL2318945 0.73 CES1 (0.57) CES1SRCALDH1A1HPGDMAPT
SCHEMBL4348603 0.72 CES1 (0.50) CES1SRCALDH1A1HPGDMAPT
SCHEMBL562162 0.71 CES1 (0.54) CES1SRCALDH1A1HPGDMAPT
SCHEMBL1079930 0.71 CES1 (0.54) CES1SRCALDH1A1HPGDMAPT

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