SCHEMBL3510159

SCHEMBL3510159

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 10/20 0.46
S1PR3 Q99500 8/20 0.45
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
S1PR5 Q9H228 1/20 0.33
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGER2 P43116 1/20 0.30
AXL P30530 1/20 0.30
MERTK Q12866 1/20 0.30
FFAR1 O14842 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL12345100 0.86 S1PR1 (0.46) S1PR1S1PR3S1PR5AXLMERTK
SCHEMBL6769068 0.85 POLB (0.36) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL12345088 0.85 POLB (0.38) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL12345108 0.83 S1PR1 (0.59) S1PR1S1PR3HDAC4HDAC6S1PR5
SCHEMBL5169611 0.82 POLB (0.40) S1PR1S1PR3S1PR5POLBTDP1
SCHEMBL3512647 0.81 S1PR1 (0.34) S1PR1S1PR3HDAC4HDAC6POLB
SCHEMBL13165903 0.78 S1PR1 (0.65) S1PR1S1PR3S1PR5FFAR1HPGD
SCHEMBL3511485 0.75 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL3512684 0.75 S1PR1 (0.36) S1PR1S1PR3S1PR5
SCHEMBL385980 0.75 S1PR1 (0.49) S1PR1S1PR3S1PR5

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 5 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
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