SCHEMBL7720766

SCHEMBL7720766

CN(C)C(=O)/C=C/c1ccc(C(=O)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPT P10636 2/20 0.51
MAOB P27338 8/20 0.47
MAOA P21397 3/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
MCHR1 Q99705 1/20 0.46
CYP1A2 P05177 1/20 0.45
CXCL12 P48061 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
CYP26A1 O43174 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
CYP1B1 Q16678 1/20 0.42

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
SCHEMBL7720768 1.00 NPC1 (0.56) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL7720762 0.88 RAB9A (0.54) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL7721859 0.86 TNFRSF1A (0.49) MAPTMAOBMAOALMNACYP1A2
SCHEMBL7721861 0.86 TNFRSF1A (0.49) MAPTMAOBMAOALMNACYP1A2
SCHEMBL7069204 0.86 APP (0.51) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL7069202 0.86 APP (0.51) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL3413340 0.84 CYP1A2 (0.62) NPC1RAB9AMAPTMAOBMAOA
SCHEMBL5694689 0.83 L3MBTL1 (0.61) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL5694692 0.83 L3MBTL1 (0.61) NPC1RAB9AL3MBTL1MAPTMAOB
SCHEMBL3409990 0.82 LMNA (0.50) NPC1RAB9AMAPTMAOBMAOA

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
US-6395932-B1 AMINOALKYL-1,2-DIPHENYL-2-PROPEN-1-ONE WHICH LOWER INTRAOCULAR PRESSURE BY CAUSING MORPHOLOGICAL CHANGE IN TRABECULAR MESHWORK CELLS. SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-05-28 US disclosed