SCHEMBL9540799

SCHEMBL9540799

COc1ccc(Oc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC6A9 P48067 8/20 0.47
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PARP10 Q53GL7 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL9543496 0.94 MEN1 (0.47) TRPM8MEN1KMT2ASLC6A9CYP1A2
SCHEMBL9540692 0.91 POLB (0.49) TRPM8MEN1KMT2ASLC6A9CYP1A2
SCHEMBL9542198 0.88 GAA (0.47) TRPM8MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9542171 0.87 GAA (0.46) TRPM8MEN1KMT2ASLC6A9CYP1A2
SCHEMBL9542258 0.86 NPC1 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL10453097 0.86 SLC6A9 (0.51) TRPM8MEN1KMT2ASLC6A9GAA
SCHEMBL9542254 0.81 TRPM8 (0.55) TRPM8MEN1KMT2ACYP1A2CYP3A4
SCHEMBL9544581 0.80 NPC1 (0.44) TRPM8MEN1KMT2ASLC6A9CYP1A2
SCHEMBL9540784 0.79 MEN1 (0.47) TRPM8MEN1KMT2ASLC6A9GAA
SCHEMBL12917871 0.79 ALDH1A1 (0.58) MEN1KMT2ASLC6A9GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US claimed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO claimed
US-5223539-A Antagonist of platelet activating factor G. D. SEARLE & CO. (US) 1993-06-29 US disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed