SCHEMBL3344676

SCHEMBL3344676

Cc1cc(OCC(=O)O)c2c(C)c(Cc3ccc(Cl)cc3)c(=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
PKM P14618 1/20 0.43
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
PLA2G5 P39877 1/20 0.39
PLA2G2E Q9NZK7 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 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
SCHEMBL3344715 0.87 PTGDR2 (0.44) TDP1TSHRALDH1A1MEN1KMT2A
SCHEMBL3348700 0.87 ALDH1A1 (0.41) TSHRPKMALDH1A1MEN1KMT2A
SCHEMBL3344758 0.83 PTGDR2 (0.51) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3345079 0.82 ALDH1A1 (0.42) PKMALDH1A1MEN1KMT2AMAPT
SCHEMBL3345539 0.82 ALDH1A1 (0.46) TSHRPKMALDH1A1MEN1KMT2A
SCHEMBL3348773 0.80 ALDH1A1 (0.47) TSHRPKMALDH1A1KDM4EHPGD
SCHEMBL3349053 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3347965 0.80 ALDH1A1 (0.48) TDP1TSHRALDH1A1MAPTKDM4E
SCHEMBL3404915 0.80 PTGS1 (0.38) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5329822 0.79 PKM (0.61) TSHRPKMALDH1A1MEN1KMT2A

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