SCHEMBL16627907

SCHEMBL16627907

COc1ccc(Cn2c(=O)c(C(=O)O)cc3c(NC(=O)C45CC(C)CC(CC(C)C4)C5)cccc32)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.79
FABP4 P15090 1/20 0.41
HDAC1 Q13547 1/20 0.41
EDNRB P24530 1/20 0.41
P2RX4 Q99571 1/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHRM1 P11229 1/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16627904 0.92 P2RX7 (0.77) P2RX7HDAC1P2RX4MAPTTP53
SCHEMBL16627672 0.91 P2RX7 (0.76) P2RX7HDAC1P2RX4MAPTTP53
SCHEMBL16627908 0.89 P2RX7 (0.91) P2RX7HDAC1P2RX4MAPTTP53
SCHEMBL16627720 0.89 P2RX7 (0.71) P2RX7HDAC1EDNRBP2RX4MAPT
SCHEMBL16627607 0.87 P2RX7 (0.79) P2RX7FABP4MAPTTP53RXFP1
SCHEMBL16627605 0.86 P2RX7 (0.77) P2RX7
SCHEMBL16627628 0.86 P2RX7 (0.67) P2RX7HDAC1P2RX4SMN1; SMN2
SCHEMBL16627721 0.81 P2RX7 (0.75) P2RX7HDAC1P2RX4MAPTTP53
SCHEMBL16627793 0.78 P2RX7 (0.80) P2RX7HDAC1EDNRBP2RX4MAPT
SCHEMBL16627612 0.77 P2RX7 (1.00) P2RX7P2RX4

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed