SCHEMBL10812959

SCHEMBL10812959

CCCCCCCCCCCCCCc1ccc(OCC(COP(O)OCC[N+](C)(C)C)OC(=O)CCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.43
▸ CNR1 P21554 2/20 0.43
▸ PLA2G4A P47712 1/20 0.41
▸ S1PR1 P21453 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SLCO1B3 Q9NPD5 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40
▸ FABP3 P05413 1/20 0.40
▸ S1PR4 O95977 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ S1PR3 Q99500 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
SCHEMBL10807702 0.94 MEN1 (0.41) CNR2CNR1PLA2G4AS1PR1SMN1; SMN2
SCHEMBL10805707 0.91 ADRA1D (0.42) PLA2G4AS1PR1SMN1; SMN2MEN1USP2
SCHEMBL10810263 0.89 PPARA (0.46) CNR2CNR1
SCHEMBL10805717 0.89 PPARA (0.46) CNR2CNR1
SCHEMBL10806015 0.89 S1PR1 (0.40) CNR2CNR1PLA2G4AS1PR1SMN1; SMN2
SCHEMBL10808992 0.87 THRA (0.43) CNR2CNR1PLA2G4AS1PR1SMN1; SMN2
SCHEMBL10808152 0.87 THRA (0.43) CNR2CNR1PLA2G4AS1PR1SMN1; SMN2
SCHEMBL10809163 0.86 ALDH1A1 (0.45) PLA2G4AS1PR1SMN1; SMN2MEN1USP2
SCHEMBL10804313 0.86 ALDH1A1 (0.45) PLA2G4AS1PR1SMN1; SMN2MEN1USP2
SCHEMBL10805982 0.86 ALDH1A1 (0.45) PLA2G4AS1PR1SMN1; SMN2MEN1USP2

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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