SCHEMBL4482567

SCHEMBL4482567

CCc1c(C(=O)O)c(C=O)n(Cc2ccccc2)c1-c1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.43
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
CPB1 P15086 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
PLCG1 P19174 1/20 0.40
PAX8 Q06710 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLA2G10 O15496 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G2E Q9NZK7 1/20 0.38
PLA2G2D Q9UNK4 1/20 0.38
SLC37A4 O43826 1/20 0.38

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
SCHEMBL4504869 0.85 ALDH1A1 (0.42) KMT2ATDP2NSD2PLCG1PAX8
SCHEMBL4488093 0.85 VDR (0.40) KMT2ATDP2NSD2PLCG1PAX8
SCHEMBL4492957 0.84 GRIA2 (0.42) PLA2G2AGFERKMT2AKDM4EALDH1A1
SCHEMBL4490040 0.82 GFER (0.47) PLA2G2AGFERKDM4EALDH1A1HPGD
SCHEMBL4494579 0.82 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1HPGD
SCHEMBL4493743 0.81 GRIA2 (0.39) KMT2ATDP2NSD2PLCG1PAX8
SCHEMBL4485732 0.80 KMT2A (0.47) PLA2G2AKMT2APLA2G1B
SCHEMBL4492331 0.77 LMNA (0.42) KMT2AALDH1A1
SCHEMBL4485664 0.77 KDM4E (0.40) KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL4559832 0.76 TP53 (0.46) KMT2AALDH1A1HPGD

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
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed