SCHEMBL10907751

SCHEMBL10907751

Cc1ccc(NC(=O)C(=O)Nc2ccc(C)c(C(=O)Nc3ccc4ccc(S(=O)(=O)O)cc4c3O)c2)cc1C(=O)Nc1ccc2ccc(S(=O)(=O)O)cc2c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.40
LMNA P02545 4/20 0.39
USP2 O75604 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
PRMT1 Q99873 2/20 0.39
BCL2L1 Q07817 1/20 0.39
ENPP2 Q13822 3/20 0.38
SNCA P37840 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
TIMP3 P35625 2/20 0.38
HPSE Q9Y251 2/20 0.38
MEN1 O00255 1/20 0.38
ENPP3 O14638 1/20 0.38
ENTPD3 O75355 1/20 0.38
NR1I2 O75469 1/20 0.38
PRKD3 O94806 1/20 0.38
TDP2 O95551 1/20 0.38
CBX7 O95931 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
SCHEMBL11344584 0.94 PRMT1 (0.47) NT5ELMNAUSP2HSD17B10MAPK1
SCHEMBL10907727 0.93 ENPP2 (0.45) NT5ELMNAUSP2HSD17B10MAPK1
SCHEMBL11340814 0.86 PRMT1 (0.52) NT5EUSP2HSD17B10PRMT1ENPP2
SCHEMBL10908189 0.86 PRMT1 (0.43) NT5ELMNAUSP2HSD17B10PRMT1
SCHEMBL10909449 0.85 NT5E (0.42) NT5ELMNAUSP2HSD17B10MAPK1
SCHEMBL10908524 0.85 PRMT1 (0.42) NT5ELMNAUSP2HSD17B10PRMT1
SCHEMBL10909096 0.83 TIMP3 (0.50) NT5EPRMT1ENPP2TIMP3MEN1
SCHEMBL10909167 0.83 SNCA (0.43) NT5ELMNAUSP2HSD17B10MAPK1
SCHEMBL10909113 0.83 NT5E (0.53) NT5ELMNAUSP2HSD17B10MAPK1
SCHEMBL10908090 0.82 PRMT1 (0.46) NT5ELMNAUSP2HSD17B10MAPK1

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
US-4599204-A Oxalylamides useful as dental antiplaque agents and inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1986-07-08 US disclosed