SCHEMBL29067751

SCHEMBL29067751

O=P(O)(O)OCCC(=S)CCCCCCCCCCCCCCC=S.[NaH]

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 11/20 0.45
LPAR2 Q9HBW0 9/20 0.45
LPAR1 Q92633 11/20 0.41
ENPP2 Q13822 4/20 0.39
LPAR4 Q99677 2/20 0.32
LPAR5 Q9H1C0 2/20 0.32
CES2 O00748 1/20 0.32
LPAR6 P43657 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL29067752 0.98 LPAR3 (0.46) LPAR3LPAR2LPAR1ENPP2LPAR4
SCHEMBL29067753 0.98 LPAR3 (0.46) LPAR3LPAR2LPAR1ENPP2LPAR4
SCHEMBL3264608 0.77 LPAR3 (0.55) LPAR3LPAR2LPAR1ENPP2
SCHEMBL4533955 0.65 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2LPAR5
SCHEMBL4527062 0.65 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2LPAR5
SCHEMBL4530286 0.65 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2LPAR5
SCHEMBL4517304 0.65 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2LPAR5
SCHEMBL4528601 0.65 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2LPAR5
SCHEMBL4538823 0.65 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2LPAR5
SCHEMBL4524025 0.65 LPAR3 (0.53) LPAR3LPAR2LPAR1ENPP2LPAR5

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
CN-116554249-A Antiviral compounds and uses thereof 北京恩泰伟医药科技有限公司 2023-08-08 CN disclosed