SCHEMBL5880403

SCHEMBL5880403

O=P(O)(Cl)OCCCCCCCCOP(=O)(O)Cl

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 13/20 0.50
LPAR2 Q9HBW0 9/20 0.50
LPAR1 Q92633 5/20 0.50
CYP3A4 P08684 1/20 0.35
LPAR5 Q9H1C0 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
PTK2B Q14289 1/20 0.33

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
SCHEMBL5850881 0.89 LPAR3 (0.69) LPAR3LPAR2LPAR1CYP3A4LPAR5
SCHEMBL10598475 0.89 LPAR3 (0.42) LPAR3LPAR2LPAR1
SCHEMBL9463317 0.89 LPAR3 (0.69) LPAR3LPAR2LPAR1CYP3A4LPAR5
SCHEMBL1083222 0.85 LPAR3 (0.65) LPAR3LPAR2LPAR1CYP3A4LPAR5
SCHEMBL812186 0.85 TDP1 (0.36) LPAR3LPAR2LPAR1
SCHEMBL57561 0.82
Ethylene Glycol SCHEMBL19617113 0.78 PPARD (0.36) LPAR3LPAR2LPAR1
SCHEMBL8022721 0.78
SCHEMBL13028277 0.77 LPAR3 (0.33) LPAR3LPAR2LPAR1
SCHEMBL6851142 0.77 LPAR3 (0.76) LPAR3LPAR2LPAR1LPAR5

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
US-7153925-B2 Condensation polymers from N, N*-disubstituted disulfonamides PEWS R GARTH 2006-12-26 US disclosed
US-20060128924-A1 Novel condensation polymers from N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 US disclosed