SCHEMBL2223574

SCHEMBL2223574

COc1ccc2cc(C(=O)c3cccc4ccccc34)c(=O)oc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
KDM4E B2RXH2 3/20 0.70
POLB P06746 1/20 0.70
MAOB P27338 5/20 0.63
GAA P10253 3/20 0.63
HPGD P15428 3/20 0.63
SLC16A3 O15427 1/20 0.63
CYP2C19 P33261 1/20 0.60
RXFP1 Q9HBX9 1/20 0.59
GLA P06280 2/20 0.59
HSD17B10 Q99714 1/20 0.59
PKM P14618 2/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
HTT P42858 1/20 0.58
CA12 O43570 1/20 0.57
CA2 P00918 1/20 0.57

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
SCHEMBL52650 0.87 ALDH1A1 (0.81) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL20918170 0.84 ALDH1A1 (0.93) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL51844 0.84 MEN1 (0.50) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL18188893 0.83 MAOB (0.62) ALDH1A1NPC1RAB9AKDM4EMAOB
SCHEMBL10419857 0.83 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL51978 0.83 ALDH1A1 (1.00) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL6836275 0.82 ALDH1A1 (0.72) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL5810352 0.81 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL2034492 0.80 ALDH1A1 (0.85) ALDH1A1NPC1RAB9AKDM4EPOLB
SCHEMBL6836388 0.80 ALDH1A1 (0.65) ALDH1A1NPC1RAB9AKDM4EPOLB

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
WO-2011086389-A1 PHOTOINITIATED REACTIONS LINTFIELD LIMITED (GB) 2011-07-21 WO disclosed