SCHEMBL9517619

SCHEMBL9517619

CCCCC(CC)Cc1cccc(C(=O)S)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
CA2 P00918 3/20 0.47
CYP3A4 P08684 2/20 0.47
LMNA P02545 3/20 0.46
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TSHR P16473 3/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IAPP P10997 1/20 0.39
MAPK1 P28482 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
BCL2L1 Q07817 2/20 0.34

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
SCHEMBL128500 0.88 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL11681334 0.84 GABRA1 (0.50) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL27749342 0.80 IAPP (0.48) ALDH1A1CA2CYP3A4LMNATSHR
SCHEMBL17666838 0.79 GABRA1 (0.41) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL6265206 0.78 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL131266 0.77 ALDH1A1 (0.55) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL31073993 0.77 ALDH1A1 (0.55) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL2348289 0.77 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL29672612 0.77 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL21114417 0.77 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0365483-B1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA GEIGY AG (CH) 1993-12-29 EP claimed
EP-0365483-A1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA-GEIGY AG (CH) 1990-04-25 EP claimed
EP-0365483-B1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA GEIGY AG (CH) 1993-12-29 EP disclosed
EP-0321405-B1 ORGANO-TIN-ALKOXYCARBONYL PHENYL MERCAPTIDES AND THEIR USE CIBA-GEIGY AG (CH) 1992-02-26 EP disclosed
EP-0365483-A1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA-GEIGY AG (CH) 1990-04-25 EP disclosed
EP-0321405-A2 Organo-tin-alkoxycarbonyl phenyl mercaptides and their use CIBA-GEIGY AG (CH) 1989-06-21 EP disclosed