SCHEMBL3346068

SCHEMBL3346068

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
PLA2G10 O15496 2/20 0.43
PLA2G1B P04054 2/20 0.43
PLA2G2A P14555 2/20 0.43
PLA2G5 P39877 2/20 0.43
PLA2G2E Q9NZK7 2/20 0.43
PKM P14618 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
THRB P10828 2/20 0.38
THRA P10827 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
RORC P51449 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3345066 0.92 TDP1 (0.43) TDP1TSHRPLA2G10PLA2G1BPLA2G2A
SCHEMBL3345108 0.90 ALDH1A1 (0.43) TSHRPLA2G2APKMKDM4EALDH1A1
SCHEMBL3345067 0.84 PPARG (0.42) TDP1TSHRPKMPPARGPPARD
SCHEMBL3348857 0.83 PLA2G10 (0.46) TDP1TSHRPLA2G10PLA2G1BPLA2G2A
SCHEMBL3344022 0.82 PLA2G1B (0.49) PLA2G10PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL3346104 0.82 PLA2G10 (0.41) TDP1TSHRPLA2G10PLA2G1BPLA2G2A
SCHEMBL3346049 0.82 PLA2G2A (0.41) PLA2G10PLA2G1BPLA2G2APLA2G5PLA2G2E
SCHEMBL3348093 0.81 PLA2G2A (0.45) TDP1TSHRPLA2G10PLA2G1BPLA2G2A
SCHEMBL3344376 0.81 PLA2G2A (0.55) TDP1TSHRPLA2G10PLA2G1BPLA2G2A
SCHEMBL3345075 0.80 TDP1 (0.49) TDP1TSHRPLA2G10PLA2G1BPLA2G2A

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