SCHEMBL10810263

SCHEMBL10810263

CCCCCCCCCCCCCc1cccc(OCC(COP(O)OCC[N+](C)(C)C)OC(=O)CCC)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.46
▸ PPARG P37231 3/20 0.46
▸ CNR2 P34972 6/20 0.45
▸ CNR1 P21554 4/20 0.45
▸ P2RY10 O00398 4/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ GPR174 Q9BXC1 3/20 0.39
▸ GPR34 Q9UPC5 1/20 0.39

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
SCHEMBL10805717 1.00 PPARA (0.46) PPARAPPARGCNR2CNR1P2RY10
SCHEMBL10807777 0.94 PPARA (0.46) PPARAPPARGCNR2CNR1P2RY10
SCHEMBL10805731 0.94 PPARA (0.46) PPARAPPARGCNR2CNR1P2RY10
SCHEMBL10804840 0.91 PPARA (0.47) PPARAPPARGCNR2CNR1CYP2D6
SCHEMBL10806823 0.91 PPARA (0.47) PPARAPPARGCNR2CNR1CYP2D6
SCHEMBL10810983 0.90 PPARA (0.46) PPARAPPARGCNR2CNR1P2RY10
SCHEMBL10809134 0.90 PPARA (0.46) PPARAPPARGCNR2CNR1P2RY10
SCHEMBL10812959 0.89 CNR2 (0.43) CNR2CNR1
SCHEMBL10806725 0.88 PPARA (0.46) PPARAPPARGCNR2CNR1CYP2D6
SCHEMBL10811852 0.88 PPARA (0.46) PPARAPPARGCNR2CNR1CYP2D6

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-4640913-A Phosphocholine derivatives having antihypertensive action AMERICAN CYANAMID COMPANY (US) 1987-02-03 — — US disclosed
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