SCHEMBL9540692

SCHEMBL9540692

COc1cccc(Oc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
MTNR1B P49286 4/20 0.47
MTNR1A P48039 2/20 0.47
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TSHR P16473 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
ACACB O00763 1/20 0.43
PGR P06401 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 0.92 MEN1 (0.47) POLBHSD17B1HSD17B2GAACYP1A2
SCHEMBL9540799 0.91 TRPM8 (0.51) HSD17B1HSD17B2GAACYP1A2CYP3A4
SCHEMBL9542198 0.86 GAA (0.47) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9542171 0.83 GAA (0.46) POLBGAACYP1A2CYP3A4CYP2C9
SCHEMBL9542258 0.80 NPC1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL9542254 0.80 TRPM8 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL10453097 0.80 SLC6A9 (0.51) POLBGAAMAPTNPSR1TRPM8
SCHEMBL9541755 0.79 CYP1A2 (0.45) POLBGAACYP1A2CYP3A4CYP2C9
SCHEMBL29275128 0.77 TRPM8 (0.58) HSD17B1HSD17B2TRPM8MEN1KMT2A
SCHEMBL9544581 0.76 NPC1 (0.44) GAACYP1A2CYP3A4CYP2C9CYP2C19

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