SCHEMBL9544581

SCHEMBL9544581

CCOc1cc(Oc2ccc(C(=O)N(C(C)C)C3CCCCC3)cc2)cc(OCC)c1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
GAA P10253 2/20 0.38
TSHR P16473 3/20 0.38
SLC6A9 P48067 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL9542258 0.88 NPC1 (0.55) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9542171 0.84 GAA (0.46) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9543471 0.81 MEN1 (0.42) MAPTMEN1KMT2AALDH1A1SLC6A2
SCHEMBL9543496 0.81 MEN1 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9542198 0.81 GAA (0.47) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9540799 0.80 TRPM8 (0.51) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9540773 0.78 SLC6A2 (0.42) NPC1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10453097 0.76 SLC6A9 (0.51) NPC1MAPTMEN1KMT2AALDH1A1
SCHEMBL9540692 0.76 POLB (0.49) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL9542254 0.74 TRPM8 (0.55) NPC1CYP1A2CYP3A4CYP2C9CYP2C19

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 2 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 disclosed
WO-1993010077-A1 N,N-DI-ALKYL(PHENOXY)BENZAMIDE DERIVATIVES G.D. SEARLE & CO. (US) 1993-05-27 WO disclosed