SCHEMBL3512684

SCHEMBL3512684

Cc1ccc(CCCC(=O)c2cc(C)c(CCC(C)(N)CO)s2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.36
S1PR3 Q99500 7/20 0.34
S1PR5 Q9H228 1/20 0.34
NPC1 O15118 1/20 0.32

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
SCHEMBL3511485 1.00 S1PR1 (0.36) S1PR1S1PR3S1PR5NPC1
SCHEMBL13165878 0.97 S1PR1 (0.34) S1PR1S1PR3S1PR5NPC1
SCHEMBL13165896 0.95 S1PR1 (0.36) S1PR1S1PR3S1PR5NPC1
SCHEMBL3508301 0.91 S1PR1 (0.35) S1PR1S1PR3S1PR5
SCHEMBL3508839 0.91 S1PR1 (0.35) S1PR1S1PR3S1PR5
SCHEMBL13165879 0.88 S1PR1 (0.33) S1PR1S1PR3S1PR5
SCHEMBL3512678 0.87 NAMPT (0.40)
SCHEMBL3511760 0.87 NAMPT (0.40)
SCHEMBL12345100 0.85 S1PR1 (0.46) S1PR1S1PR3S1PR5NPC1
SCHEMBL13165876 0.85 LTB4R (0.42) NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2045325-B1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO CO LTD (JP) 2012-09-19 EP disclosed
EP-2045325-B1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO CO LTD (JP) 2012-09-19 EP disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
US-20100248227-A1 DRUG-PHOSPHORYLATING ENZYME DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-09-30 US disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed