SCHEMBL15613832

SCHEMBL15613832

CCC(C)c1ccc(COc2ccc(C(=O)O)c(O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
MAOB P27338 5/20 0.54
MAOA P21397 4/20 0.52
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51
HSP90AA1 P07900 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR1 O14842 1/20 0.46
MCL1 Q07820 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
PPARA Q07869 1/20 0.44

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
SCHEMBL15613845 0.91 NPC1 (0.56) NPC1RAB9AMAOBMAOARXRA
SCHEMBL15613848 0.88 NPC1 (0.59) NPC1RAB9AMAOBMAOARXRA
SCHEMBL15613835 0.86 MAOB (0.54) NPC1RAB9AMAOBMAOAL3MBTL1
SCHEMBL13978183 0.84 RXRA (0.63) NPC1RAB9AMAOBMAOARXRA
SCHEMBL8941559 0.82 MAOB (0.63) MAOBMAOAALDH1A1TSHRMCL1
SCHEMBL15613836 0.81 NPC1 (0.51) NPC1RAB9ARXRARXRBALDH1A1
SCHEMBL8069592 0.81 MAOB (0.62) MAOBMAOAALDH1A1MCL1
SCHEMBL15613843 0.81 NPC1 (0.45) NPC1RAB9AMAOBMAOARXRA
SCHEMBL10174227 0.80 ALDH1A1 (0.56) ALDH1A1TSHRMCL1PPARA
SCHEMBL15627055 0.80 NPC1 (0.49) NPC1RAB9ARXRARXRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9098002-B2 Toner CANON KABUSHIKI KAISHA (JP) 2015-08-04 US disclosed
US-9079989-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-07-14 US disclosed
US-20150025213-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-01-22 US disclosed
US-8883946-B2 Charge control resin and manufacturing method of the same ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-11-11 US disclosed
US-20140087299-A1 TONER CANON KABUSHIKI KAISHA (JP) 2014-03-27 US disclosed
US-20140080989-A1 CHARGE CONTROL RESIN AND MANUFACTURING METHOD OF THE SAME ORIENT CHEMICAL INDUSTRIES CO., LTD. (JP) 2014-03-20 US disclosed