SCHEMBL14610641

SCHEMBL14610641

COc1cc(C(=O)N(CCN)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.61
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
RAF1 P04049 2/20 0.58
MAP2K1 Q02750 2/20 0.58
LPAR1 Q92633 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
KDM4E B2RXH2 1/20 0.52
APP P05067 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
TSHR P16473 1/20 0.50
LPAR2 Q9HBW0 1/20 0.49

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
SCHEMBL5305560 0.94 MRGPRX4 (0.61) TRPM8NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14078347 0.91 TRPM8 (0.69) TRPM8NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14610697 0.91 RAF1 (0.61) TRPM8NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14078352 0.89 TRPM8 (0.64) TRPM8NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14610662 0.88 LPAR1 (0.54) TRPM8NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14610918 0.88 TRPM8 (0.68) TRPM8NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14610712 0.88 NPC1 (0.61) NPC1RAB9AHPGDSMN1; SMN2RAF1
Hydrochloric Acid SCHEMBL5114925 0.88 TRPM8 (0.62) TRPM8NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14610939 0.87 TRPM8 (0.52) TRPM8NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL14610733 0.87 RAF1 (0.58) TRPM8NPC1RAB9AHPGDSMN1; SMN2

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-2007017092-A1 SUBSTITUTED 4-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed