SCHEMBL3344798

SCHEMBL3344798

COC(=O)COc1cc(C)cc2c1c(C)c(Cc1cccc(Cl)c1)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
PLA2G2A P14555 5/20 0.39
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
TSHR P16473 1/20 0.37
P2RX7 Q99572 1/20 0.36
PLA2G1B P04054 2/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
PLA2G2E Q9NZK7 1/20 0.36
KMT2A Q03164 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL3348093 0.91 PLA2G2A (0.45) PLA2G2ATSHRPLA2G1BPLA2G10PLA2G5
SCHEMBL3346109 0.88 ALDH1A1 (0.44) HPGDALDH1A1KDM4EHSD17B10PLA2G2A
SCHEMBL3349098 0.86 ALDH1A1 (0.44) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL3345105 0.85 ALDH1A1 (0.45) HPGDALDH1A1KDM4EHSD17B10PLA2G2A
SCHEMBL3345142 0.84 ALDH1A1 (0.45) HPGDALDH1A1KDM4EHSD17B10PLA2G2A
SCHEMBL3344740 0.83 ALDH1A1 (0.39) HPGDALDH1A1KDM4EHSD17B10PLA2G2A
SCHEMBL3345108 0.82 ALDH1A1 (0.43) HPGDALDH1A1KDM4EHSD17B10PLA2G2A
SCHEMBL3346098 0.81 ALDH1A1 (0.43) HPGDALDH1A1KDM4EHSD17B10PLA2G2A
SCHEMBL3344022 0.80 PLA2G1B (0.49) HPGDALDH1A1KDM4EHSD17B10PLA2G2A
SCHEMBL3345066 0.80 TDP1 (0.43) HPGDALDH1A1KDM4EHSD17B10PLA2G2A

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