SCHEMBL3346049

SCHEMBL3346049

Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccc(F)cc3)c(=O)n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.41
PLA2G10 O15496 2/20 0.41
PLA2G1B P04054 2/20 0.41
PLA2G5 P39877 2/20 0.41
PLA2G2E Q9NZK7 2/20 0.41
BRD4 O60885 1/20 0.40
TRPC5 Q9UL62 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
PTGER2 P43116 2/20 0.37
PKM P14618 1/20 0.37
HIF1A Q16665 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL3344022 0.91 PLA2G1B (0.49) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3345142 0.90 ALDH1A1 (0.45) PLA2G2ABRD4TRPC5ALDH1A1KDM4E
SCHEMBL3345066 0.90 TDP1 (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3346104 0.86 PLA2G10 (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3348093 0.83 PLA2G2A (0.45) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3345145 0.82 PTGDR2 (0.41) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3345067 0.82 PPARG (0.42) TRPC5THRATHRBMAPTPKM
SCHEMBL3346068 0.82 TDP1 (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3344698 0.81 AKR1B1 (0.43) KDM4EMAPTPTGDR2
SCHEMBL3346252 0.81 PLA2G2A (0.44) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E

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