SCHEMBL9566167

SCHEMBL9566167

Cc1cc(C(S)C(=O)O)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
CYP26A1 O43174 3/20 0.33
NQO1 P15559 1/20 0.32

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
SCHEMBL11687966 0.72 ALOX5 (0.42) ALOX5KDM4EMAPTRAB9AMEN1
SCHEMBL11844598 0.70 ALOX5 (0.47) ALOX5KDM4EMAPTRAB9AHPGD
SCHEMBL2959543 0.69 KMT2A (0.40) KDM4ERAB9AHPGDCYP3A4KMT2A
SCHEMBL4298346 0.68 ALOX5 (0.48) ALOX5KDM4EMAPTMEN1GLA
SCHEMBL178515 0.65 ALOX5 (0.43) ALOX5KDM4EMAPTRAB9AMEN1
SCHEMBL546834 0.64 MAPT (0.59) KDM4EMAPTRAB9AHPGDMEN1
SCHEMBL11095327 0.64 LMNA (0.39) MEN1CYP3A4KMT2ACA1CA9
SCHEMBL6610370 0.64 ALOX5 (0.39) ALOX5KDM4EMAPTRAB9AMEN1
SCHEMBL11091003 0.63 HTR2A (0.45) MEN1CYP3A4KMT2AALDH1A1
SCHEMBL3138636 0.63 TSHR (0.49) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571031-A2 Process for the preparation of savoury flavours QUEST INTERNATIONAL B.V. (NL) 1993-11-24 EP disclosed