SCHEMBL6770520

SCHEMBL6770520

Cc1ccc(CCCC(=O)c2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.44
S1PR3 Q99500 8/20 0.44
S1PR5 Q9H228 2/20 0.44
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 2/20 0.36
MAPT P10636 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL5167470 0.97 POLB (0.43) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL6774680 0.95 POLB (0.44) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL3509408 0.94 S1PR1 (0.41) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL3509370 0.94 S1PR1 (0.41) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL385258 0.89 TDP1 (0.43) POLBTDP1RECQLMAPTL3MBTL1
SCHEMBL6769332 0.88 HDAC4 (0.44) S1PR1S1PR3POLBMAPTCASP3
SCHEMBL6769068 0.88 POLB (0.36) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL5169197 0.87 POLB (0.45) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL385369 0.86 POLB (0.42) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL5168929 0.86 POLB (0.42) S1PR1S1PR3S1PR5POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US claimed
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