SCHEMBL14409223

SCHEMBL14409223

CCC(C)c1ccc(C[N+]2(C)CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.39
CHRNA7 P36544 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CCR5 P51681 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17853879 0.89 CHRNA7 (0.43) NPC1RAB9AALDH1A1CHRNA7CHRNB2
SCHEMBL18381870 0.85 CHRNA7 (0.53) KMT2AALDH1A1CHRNA7CHRNB2CHRNA4
SCHEMBL12014133 0.85 FKBP1A (0.42) NPC1RAB9AKMT2AALDH1A1CHRNA7
SCHEMBL14283057 0.84 CHRNB2 (0.54) KMT2AALDH1A1CHRNA7CHRNB2CHRNA4
SCHEMBL10033883 0.76 NPSR1 (0.38) NPC1RAB9AALDH1A1NPSR1HSP90AA1
SCHEMBL12682901 0.76 CHRNA7 (0.44) NPC1RAB9AALDH1A1CHRNA7CHRNB2
SCHEMBL20017727 0.75 CHRNA7 (0.43) ALDH1A1CHRNA7CHRNB2CHRNA4CCR5
SCHEMBL6773387 0.75 CHRNA7 (0.43) ALDH1A1CHRNA7CHRNB2CHRNA4CCR5
SCHEMBL1961848 0.74 APOBEC3A (0.48) NPC1RAB9AKMT2ACHRNA7CHRNB2
Hydrochloric Acid SCHEMBL10751415 0.73 APOBEC3A (0.47) NPC1RAB9AKMT2ACHRNA7CHRNB2

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-20070218404-A1 Infrared-sensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2007-09-20 US disclosed
US-20070015859-A1 Polyester resin composition containing organic modified layered silicate FUJI PHOTO FILM CO., LTD. 2007-01-18 US disclosed