SCHEMBL3345462

SCHEMBL3345462

Cc1cc(OCC(=O)OC(C)(C)C)c2c(C)c(Cc3ccc(Cl)cc3)c(=O)n(Cc3ccccc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.45
PLA2G10 O15496 2/20 0.45
PLA2G1B P04054 2/20 0.45
PLA2G5 P39877 2/20 0.45
PLA2G2E Q9NZK7 2/20 0.45
ALOX5AP P20292 1/20 0.40
P2RX3 P56373 3/20 0.39
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGES2 Q9H7Z7 3/20 0.37
PKM P14618 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL3409928 0.92 ALDH1A1 (0.40) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3344376 0.89 PLA2G2A (0.55) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3348099 0.87 HPGD (0.41) P2RX3HPGDKDM4EALDH1A1POLB
SCHEMBL3345534 0.81 KDM4E (0.44) PLA2G2AP2RX3HPGDKDM4EALDH1A1
SCHEMBL3348857 0.81 PLA2G10 (0.46) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3345114 0.81 PTGDR2 (0.53) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL3344729 0.79 DDB1 (0.41) PLA2G2AHPGDKDM4EALDH1A1POLB
SCHEMBL3348700 0.77 ALDH1A1 (0.41) HPGDKDM4EALDH1A1POLBHSD17B10
SCHEMBL6590065 0.77 ALDH1A1 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6586773 0.76 PLA2G2A (0.49) 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 1 patent. 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