SCHEMBL15440757

SCHEMBL15440757

C[N+](C)(C)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.52
MAPK1 P28482 1/20 0.52
HPGD P15428 1/20 0.50
VNN1 O95497 3/20 0.47
F10 P00742 1/20 0.47
KLKB1 P03952 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
AGTR1 P30556 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
ELANE P08246 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
FABP2 P12104 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
SCHEMBL8380477 0.84 KDM4E (0.54) F10KLKB1ALDH1A1LMNAKDM4E
SCHEMBL1934587 0.83 ALDH1A1 (0.57) SRD5A2HPGDNPC1RAB9AL3MBTL1
Bromide SCHEMBL9333268 0.82 KDM4E (0.52) F10KLKB1ALDH1A1LMNAKDM4E
Hydrochloric Acid SCHEMBL932070 0.82 KDM4E (0.58) F10KLKB1ALDH1A1LMNAKDM4E
Bromide SCHEMBL3290361 0.81 ALDH1A1 (0.55) SRD5A2HPGDNPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL51184 0.81 ALDH1A1 (0.61) SRD5A2HPGDNPC1RAB9AL3MBTL1
SCHEMBL29985694 0.79 SRD5A2 (0.76) SRD5A2MAPK1HPGDL3MBTL1ALDH1A1
SCHEMBL30010720 0.79 SRD5A2 (0.76) SRD5A2MAPK1HPGDL3MBTL1ALDH1A1
SCHEMBL13396745 0.79 ALDH1A1 (0.45) F10KLKB1NPC1RAB9AL3MBTL1
SCHEMBL28399335 0.79 ALDH1A1 (0.65) SRD5A2MAPK1HPGDVNN1NPC1

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-9445501-B2 Electrically conductive composition, electrically conductive film using the composition and a method of producing the same FUJIFILM CORPORATION (JP) 2016-09-13 US disclosed
US-9445501-B2 Electrically conductive composition, electrically conductive film using the composition and a method of producing the same FUJIFILM CORPORATION (JP) 2016-09-13 US disclosed
US-20140020939-A1 ELECTRICALLY CONDUCTIVE COMPOSITION, ELECTRICALLY CONDUCTIVE FILM USING THE COMPOSITION AND A METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2014-01-23 US disclosed
US-20140020939-A1 ELECTRICALLY CONDUCTIVE COMPOSITION, ELECTRICALLY CONDUCTIVE FILM USING THE COMPOSITION AND A METHOD OF PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2014-01-23 US disclosed