SCHEMBL10490702

SCHEMBL10490702

O=Cc1cccc(CCCCl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.47
MAOB P27338 7/20 0.47
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
UNG P13051 1/20 0.39
FFAR1 O14842 1/20 0.37
CYP2A6 P11509 1/20 0.37
CDK1 P06493 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SRC P12931 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35

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
SCHEMBL3025911 0.93 MAOA (0.45) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL3033005 0.89 MAOA (0.46) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL9480031 0.81 MAOA (0.51) MAOAMAOBALDH1A1UNGFFAR1
SCHEMBL14761019 0.81 TP53 (0.42) ALDH1A1TDP1
SCHEMBL27799506 0.81 MAOA (0.44) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL1246800 0.81 CYP4F2 (0.46) MAOAMAOBALDH1A1UNGFFAR1
SCHEMBL3032724 0.81 HDAC4 (0.47) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL9559961 0.81 MAOA (0.51) MAOAMAOBALDH1A1UNGFFAR1
SCHEMBL30730420 0.80 MAOA (0.49) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL2568174 0.80 MAOA (0.49) MAOAMAOBALDH1A1NPC1RAB9A

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-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP disclosed