SCHEMBL10804028

SCHEMBL10804028

CCCCCCCCCCCCCCc1ccccc1OCC(COP(O)OCC[N+](C)(C)C)OC(=O)CC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ CNR2 P34972 4/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ P2RY10 O00398 3/20 0.37
▸ GPR34 Q9UPC5 1/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ LTB4R2 Q9NPC1 1/20 0.37
▸ PPARD Q03181 1/20 0.36
▸ ADRB2 P07550 5/20 0.36
▸ ADRB1 P08588 5/20 0.36
▸ FABP3 P05413 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NR5A2 O00482 1/20 0.35
▸ NR5A1 Q13285 1/20 0.35

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
SCHEMBL10803365 1.00 THRA (0.39) THRATHRBCNR2CNR1P2RY10
SCHEMBL10808544 0.95 LTB4R (0.38) THRATHRBCNR2CNR1P2RY10
SCHEMBL10810929 0.95 LTB4R (0.38) THRATHRBCNR2CNR1P2RY10
SCHEMBL10811350 0.94 CNR2 (0.42) THRATHRBCNR2CNR1P2RY10
SCHEMBL10807195 0.94 CNR2 (0.42) THRATHRBCNR2CNR1P2RY10
SCHEMBL10811385 0.92 ADRA1D (0.41) THRATHRBP2RY10GPR34LTB4R
SCHEMBL10809418 0.92 ADRA1D (0.41) THRATHRBP2RY10GPR34LTB4R
SCHEMBL10807899 0.88 CYP2D6 (0.40) THRATHRBCNR2CNR1LTB4R
SCHEMBL10808673 0.88 PRKD3 (0.41) THRATHRBP2RY10GPR34LTB4R
SCHEMBL10806787 0.87 LTB4R (0.39) THRATHRBLTB4RLTB4R2ADRB2

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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