SCHEMBL3344698

SCHEMBL3344698

Cc1cc(OCC(=O)O)c2c(C)c(Cc3nc4cc(F)ccc4s3)c(=O)n(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 12/20 0.43
AKR1A1 P14550 5/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
FGFR1 P11362 2/20 0.35
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
FFAR1 O14842 2/20 0.34
PPARD Q03181 2/20 0.34

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
SCHEMBL3346227 0.92 AKR1B1 (0.39) AKR1B1AKR1A1PTGDR2KDM4EMAPT
SCHEMBL3345145 0.81 PTGDR2 (0.41) PTGDR2KDM4E
SCHEMBL3346049 0.81 PLA2G2A (0.41) PTGDR2KDM4EMAPT
SCHEMBL3344022 0.76 PLA2G1B (0.49) PTGDR2KDM4EMAPT
SCHEMBL3345090 0.74 ALDH1A1 (0.41) AKR1B1AKR1A1PTGDR2KDM4EMAPT
SCHEMBL3345066 0.74 TDP1 (0.43) PTGDR2KDM4EMAPTPPARD
SCHEMBL3345023 0.73 PLA2G1B (0.44) PTGDR2KDM4EMAPT
SCHEMBL3345055 0.73 ALDH1A1 (0.42) PTGDR2KDM4EMAPT
SCHEMBL3346252 0.73 PLA2G2A (0.44) PTGDR2KDM4E
SCHEMBL3345142 0.72 ALDH1A1 (0.45) KDM4EMAPT

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