SCHEMBL7070489

SCHEMBL7070489

O=C(O)c1ccccc1SCCCCCO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
RAB9A P51151 5/20 0.53
POLB P06746 4/20 0.52
CA2 P00918 2/20 0.50
LPAR2 Q9HBW0 1/20 0.50
LPAR3 Q9UBY5 1/20 0.50
NPC1 O15118 3/20 0.47
GAA P10253 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
PTPRG P23470 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL19617825 0.93 CYP1A2 (0.61) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL6234337 0.93 CYP1A2 (0.65) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL6232914 0.93 CYP1A2 (0.65) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL6232251 0.93 CYP1A2 (0.65) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL6234990 0.93 CYP1A2 (0.65) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL6232508 0.91 CYP1A2 (0.67) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL6231027 0.88 CYP1A2 (0.67) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL9658167 0.86 CYP1A2 (0.65) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL14383969 0.85 CYP1A2 (0.56) CYP1A2RAB9APOLBCA2LPAR2
SCHEMBL11768735 0.85 PTGS2 (0.58) CYP1A2RAB9APOLBCA2LPAR2

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 3 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
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