SCHEMBL14610208

SCHEMBL14610208

NCCCN(Cc1ccccc1SCc1ccc(Cl)cc1)C(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 7/20 0.50
▸ SLC1A5 Q15758 2/20 0.44
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RAF1 P04049 1/20 0.38
▸ MAP2K1 Q02750 1/20 0.38
▸ LPAR1 Q92633 1/20 0.37
▸ PTGER1 P34995 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ PTGER3 P43115 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL14610209 0.94 TRPM8 (0.55) TRPM8LPAR1PTGER1PTGER4PTGER3
SCHEMBL14610005 0.91 TRPM8 (0.47) TRPM8SLC1A5CARM1PRMT1KDM4E
SCHEMBL14610617 0.89 TRPM8 (0.50) TRPM8SLC1A5CARM1PRMT1KDM4E
SCHEMBL14610589 0.87 TRPM8 (0.59) TRPM8SLC1A5CARM1PRMT1KDM4E
Hydrochloric Acid SCHEMBL5372786 0.86 TRPM8 (0.58) TRPM8SLC1A5CARM1PRMT1KDM4E
SCHEMBL14610215 0.84 TRPM8 (0.52) TRPM8SLC1A5CARM1PRMT1KDM4E
SCHEMBL14610625 0.84 TRPM8 (0.58) TRPM8SLC1A5CARM1PRMT1KDM4E
SCHEMBL14610621 0.84 TRPM8 (0.62) TRPM8SLC1A5CARM1PRMT1PTGER1
SCHEMBL14610622 0.83 TRPM8 (0.52) TRPM8
SCHEMBL14609974 0.81 TRPM8 (0.53) TRPM8SLC1A5CARM1PRMT1KDM4E

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
WO-2007017093-A1 SUBSTITUTED 2-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 — — WO disclosed
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