SCHEMBL8729245

SCHEMBL8729245

CCCCCCC(CO)NS(=O)(=O)CCCCCCc1ccccc1.O=P(=O)C(O)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ASAH2 Q9NR71 1/20 0.36
AR P10275 1/20 0.35
CTRC Q99895 1/20 0.35
MGLL Q99685 2/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 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
SCHEMBL8733000 1.00 ASAH2 (0.36) ASAH2ARCTRCMGLLS1PR2
SCHEMBL8733007 1.00 ASAH2 (0.36) ASAH2ARCTRCMGLLS1PR2
SCHEMBL8728148 0.97 AR (0.36) ASAH2ARCTRC
SCHEMBL8727549 0.96 ASAH2 (0.38) ASAH2ARCTRC
SCHEMBL8733270 0.96 ASAH2 (0.38) ASAH2ARCTRC
SCHEMBL8733057 0.96 ASAH2 (0.38) ASAH2ARCTRC
SCHEMBL8730272 0.96 ASAH2 (0.38) ASAH2ARCTRC
SCHEMBL8732304 0.96 ASAH2 (0.38) ASAH2ARCTRC
SCHEMBL8731343 0.96 ASAH2 (0.38) ASAH2ARCTRC
SCHEMBL8729375 0.96 ASAH2 (0.38) ASAH2ARCTRC

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 1 patent. 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 disclosed