SCHEMBL9833154

SCHEMBL9833154

CCC(C(=O)OCc1cc(OC)c(O)c(OC)c1)(c1cccs1)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.40
▸ GAA P10253 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX5 P09917 5/20 0.36
▸ PTGS1 P23219 2/20 0.36
▸ PTGS2 P35354 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 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
SCHEMBL9832104 0.78 CHRM2 (0.40) GAAKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL9831654 0.76 MAPT (0.41) METGAAKDM4EMAPTALOX5
SCHEMBL9834283 0.72 OPRM1 (0.58) GAAKDM4EMAPTALOX5PTGS1
SCHEMBL10423292 0.72 KDM4E (0.41) METGAAKDM4EMAPTALOX5
SCHEMBL9831337 0.69 CHRM2 (0.42) GAAKDM4EL3MBTL1ALDH1A1MEN1
SCHEMBL9832269 0.67 MAPT (0.36) GAAKDM4EMAPTALOX5PTGS1
SCHEMBL26853170 0.66 TRPV1 (0.46) METLMNATRPV1
SCHEMBL9832363 0.66 OPRM1 (0.43) MAPTPTGS2L3MBTL1ALDH1A1MEN1
SCHEMBL9799289 0.65 OPRM1 (0.43) GAAKDM4EMAPTPTGS2L3MBTL1
SCHEMBL13851149 0.65 MET (0.60) METGAAKDM4EMAPTALOX5

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-0297782-B1 A THIOPHENE DERIVATIVE AND PROCESS FOR PREPARING THE SAME TANABE SEIYAKU CO., LTD. (JP) 1991-05-22 — — EP claimed
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