SCHEMBL3345145

SCHEMBL3345145

Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccc4cc(F)ccc4n3)c(=O)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
PTGIR P43119 1/20 0.41
PTGDR Q13258 1/20 0.41
KDM4E B2RXH2 4/20 0.35
PLA2G10 O15496 2/20 0.34
PLA2G1B P04054 2/20 0.34
PLA2G2A P14555 2/20 0.34
PLA2G5 P39877 2/20 0.34
PLA2G2E Q9NZK7 2/20 0.34
PDE10A Q9Y233 4/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 1/20 0.34
PTGER2 P43116 2/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
ALOX5AP P20292 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3345055 0.92 ALDH1A1 (0.42) PTGDR2PTGIRPTGDRKDM4EPLA2G2A
SCHEMBL3346049 0.82 PLA2G2A (0.41) PTGDR2KDM4EPLA2G10PLA2G1BPLA2G2A
SCHEMBL3344698 0.81 AKR1B1 (0.43) PTGDR2KDM4E
SCHEMBL3344022 0.77 PLA2G1B (0.49) PTGDR2KDM4EPLA2G10PLA2G1BPLA2G2A
SCHEMBL3345066 0.75 TDP1 (0.43) PTGDR2KDM4EPLA2G10PLA2G1BPLA2G2A
SCHEMBL3345023 0.75 PLA2G1B (0.44) PTGDR2KDM4EPLA2G10PLA2G1BPLA2G2A
SCHEMBL3346252 0.74 PLA2G2A (0.44) PTGDR2KDM4EPLA2G10PLA2G1BPLA2G2A
SCHEMBL3346104 0.73 PLA2G10 (0.41) PTGDR2KDM4EPLA2G10PLA2G1BPLA2G2A
SCHEMBL3345075 0.73 TDP1 (0.49) PTGDR2PTGDRKDM4EPLA2G10PLA2G1B
SCHEMBL3345142 0.73 ALDH1A1 (0.45) KDM4EPLA2G2AALDH1A1HSD17B10HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO claimed
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed