SCHEMBL8732304

SCHEMBL8732304

CCCCCCCCCCS(=O)(=O)N[C@H](CO)CCCCCC.O=P(=O)C(O)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 1/20 0.38
AR P10275 1/20 0.38
CTRC Q99895 1/20 0.37
CA1 P00915 1/20 0.34
CETP P11597 3/20 0.34
CSNK1E P49674 1/20 0.34
CERT1 Q9Y5P4 2/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 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
SCHEMBL8731343 1.00 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8730272 1.00 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8733274 1.00 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8733057 1.00 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8733387 1.00 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8733270 1.00 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8727549 1.00 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8729375 1.00 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8732874 0.98 ASAH2 (0.38) ASAH2ARCTRCCA1CETP
SCHEMBL8729218 0.98 ASAH2 (0.38) ASAH2ARCTRCCA1CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0701561-B1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 MENARINI LAB (ES) 1998-08-19 EP claimed
EP-0701561-B1 DESOXYAZAPHOSPHOLIPID DERIVATIVES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2 MENARINI LAB (ES) 1998-08-19 EP disclosed