SCHEMBL10949673

SCHEMBL10949673

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCNC)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 7/20 0.58
▸ LPAR3 Q9UBY5 7/20 0.58
▸ LPAR5 Q9H1C0 4/20 0.58
▸ LPAR6 P43657 3/20 0.58
▸ LPAR4 Q99677 3/20 0.58
▸ LPAR2 Q9HBW0 3/20 0.58
▸ PLA2G2C Q5R387 1/20 0.58
▸ AKT1 P31749 5/20 0.54
▸ AKT2 P31751 3/20 0.54
▸ AKT3 Q9Y243 3/20 0.54
▸ PIK3R1 P27986 2/20 0.54
▸ PIK3CA P42336 2/20 0.54
▸ PLCG2 P16885 1/20 0.54
▸ GAB1 Q13480 1/20 0.54
▸ PRKD3 O94806 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ PRKCB P05771 1/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ PRKCH P24723 1/20 0.49
▸ PRKCI P41743 1/20 0.49

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
SCHEMBL10565193 1.00 LPAR1 (0.58) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10951926 1.00 LPAR1 (0.58) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10950039 1.00 LPAR1 (0.58) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10951304 1.00 LPAR1 (0.58) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10954412 1.00 LPAR1 (0.58) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10950559 1.00 LPAR1 (0.58) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10948714 0.93 LPAR3 (0.63) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10952137 0.93 LPAR3 (0.63) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10952127 0.93 LPAR3 (0.63) LPAR1LPAR3LPAR5LPAR6LPAR4
SCHEMBL10948486 0.93 PLA2G2C (0.52) LPAR1LPAR3LPAR5LPAR6LPAR4

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-4562005-A ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-31 — — US claimed
US-4562005-A ANTITUMOR TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-31 — — US disclosed
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