SCHEMBL11083607

SCHEMBL11083607

CCCCCCCCCCCCCCCCCSCC(COP(=O)(O)O)OCCN

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 9/20 0.56
LPAR1 Q92633 7/20 0.56
LPAR5 Q9H1C0 1/20 0.44
ENPP2 Q13822 5/20 0.43
LPAR2 Q9HBW0 3/20 0.43
PLA2G2C Q5R387 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TLR2 O60603 2/20 0.41
S1PR2 O95136 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL14032166 0.91 LPAR3 (0.68) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL1739832 0.91 LPAR3 (0.68) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL5081834 0.91 LPAR3 (0.68) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL11079228 0.88 LPAR3 (0.57) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL11082621 0.88 LPAR3 (0.57) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL11091806 0.87 LPAR3 (0.56) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL11079136 0.87 LPAR3 (0.54) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL4747959 0.87 LPAR3 (0.54) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL11088254 0.87 LPAR3 (0.54) LPAR3LPAR1LPAR5ENPP2LPAR2
SCHEMBL11081544 0.87 LPAR3 (0.54) LPAR3LPAR1LPAR5ENPP2LPAR2

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
US-4444766-A ANTITUMOR BOEHRINGER MANNHEIM GMBH (DE) 1984-04-24 US disclosed