SCHEMBL9703336

SCHEMBL9703336

OCCOc1ccccc1-c1[c]cccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PDE5A O76074 1/20 0.42
HTR7 P34969 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
AR P10275 1/20 0.40
RECQL P46063 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
IDO1 P14902 1/20 0.40
ADRB2 P07550 3/20 0.40

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
SCHEMBL7673600 0.86 TDP1 (0.36) TP53MAPK1RAB9ALMNAHTT
SCHEMBL10500436 0.81 TP53 (0.33) TP53MAPK1RAB9APDE5AHTR7
SCHEMBL1938309 0.80 TP53 (0.57) TP53MAPK1RAB9ALMNAHTT
SCHEMBL3867574 0.80 CYP1A2 (0.47) LMNAPDE5AMEN1KMT2AKDM4E
SCHEMBL6646362 0.79 TDP1 (0.33) TP53MAPK1RAB9AHTR7ALDH1A1
SCHEMBL447310 0.79 ALDH1A1 (0.44) RAB9APDE5AKDM4EALDH1A1
SCHEMBL6536573 0.79 DRD1 (0.45) TP53MAPK1RAB9AHTR7KDM4E
SCHEMBL3731514 0.77 BRD4 (0.48) MAPK1PDE5AIDO1
SCHEMBL159005 0.76 TP53 (0.69) TP53MAPK1RAB9ALMNAHTT
SCHEMBL29418129 0.76 TP53 (0.69) TP53MAPK1RAB9ALMNAHTT

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
EP-0513604-A1 Labeling of hydrocarbons NALCO CHEMICAL COMPANY (US) 1992-11-19 EP disclosed