SCHEMBL3345075

SCHEMBL3345075

Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccc(Cl)cc3Cl)c(=O)n(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 1/20 0.40
PLA2G10 O15496 2/20 0.39
PLA2G1B P04054 2/20 0.39
PLA2G2A P14555 2/20 0.39
PLA2G5 P39877 2/20 0.39
PLA2G2E Q9NZK7 2/20 0.39
PPARD Q03181 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
HIF1A Q16665 1/20 0.38
WDR5 P61964 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL3349098 0.90 ALDH1A1 (0.44) TDP1TSHRLMNARXFP1MAPT
SCHEMBL3346252 0.89 PLA2G2A (0.44) TDP1TSHRLMNAPLA2G10PLA2G1B
SCHEMBL3345066 0.88 TDP1 (0.43) TDP1TSHRMAPTPLA2G10PLA2G1B
SCHEMBL3348093 0.85 PLA2G2A (0.45) TDP1TSHRPLA2G10PLA2G1BPLA2G2A
SCHEMBL3346104 0.84 PLA2G10 (0.41) TDP1TSHRPLA2G10PLA2G1BPLA2G2A
SCHEMBL3344022 0.83 PLA2G1B (0.49) MAPTPLA2G10PLA2G1BPLA2G2APLA2G5
SCHEMBL3345067 0.81 PPARG (0.42) TDP1TSHRMAPTPPARDPTGDR2
SCHEMBL3346049 0.80 PLA2G2A (0.41) MAPTPLA2G10PLA2G1BPLA2G2APLA2G5
SCHEMBL3346068 0.80 TDP1 (0.43) TDP1TSHRRXFP1PLA2G10PLA2G1B
SCHEMBL3345105 0.80 ALDH1A1 (0.45) TDP1TSHRLMNARXFP1MAPT

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