SCHEMBL6769068

SCHEMBL6769068

Cc1ccc(CCCC(=O)c2ccc(CCC(C)(N)CO)s2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR1 P21453 10/20 0.36
S1PR3 Q99500 8/20 0.36
S1PR5 Q9H228 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
PRNP P04156 1/20 0.33
RECQL P46063 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL5169611 0.97 POLB (0.40) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL12345088 0.95 POLB (0.38) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL6770520 0.88 S1PR1 (0.44) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL13165867 0.86 POLB (0.37) POLBTDP1S1PR1S1PR3ALDH1A1
SCHEMBL13165870 0.86 HPGD (0.41) POLBTDP1S1PR1ALDH1A1LMNA
SCHEMBL3510159 0.85 S1PR1 (0.46) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL3511485 0.85 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL3512684 0.85 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL5167470 0.84 POLB (0.43) POLBTDP1S1PR1S1PR3S1PR5
SCHEMBL5168691 0.84 PDIA6 (0.37) POLBTDP1S1PR1S1PR3S1PR5

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 6 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
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
EP-2045325-A1 DRUG-PHOSPHORYLATING ENZYME Daiichi Sankyo Company, Limited (JP) 2009-04-08 EP disclosed
US-6696463-B2 FOR THERAPY OF CELL PROLIFERATION, DIFFERENTIATION OR GROWTH DISORDERS, CANCER SUGEN, INC. 2004-02-24 US disclosed