SCHEMBL10810610

SCHEMBL10810610

CCCCCCCCCCCCOc1ccc(CCCC(COP(O)OCCN(C)C)OC(=O)CCC)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 9/20 0.44
▸ THRB P10828 8/20 0.44
▸ PLA2G4A P47712 1/20 0.41
▸ CNR2 P34972 4/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ TLR2 O60603 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
SCHEMBL10810128 0.95 THRA (0.45) THRATHRBCNR2CNR1TLR2
SCHEMBL10810038 0.95 THRA (0.43) THRATHRBPLA2G4A
SCHEMBL10808992 0.91 THRA (0.43) THRATHRBPLA2G4ACNR2CNR1
SCHEMBL10808152 0.91 THRA (0.43) THRATHRBPLA2G4ACNR2CNR1
SCHEMBL10807087 0.91 THRA (0.43) THRATHRBPLA2G4A
SCHEMBL10808906 0.90 THRA (0.44) THRATHRBPLA2G4A
SCHEMBL10808557 0.90 THRA (0.47) THRATHRBCNR2
SCHEMBL10810101 0.90 THRA (0.47) THRATHRBCNR2
SCHEMBL10808276 0.88 TLR2 (0.44) PLA2G4ACNR2CNR1TLR2
SCHEMBL10804053 0.86 THRA (0.44) THRATHRBPLA2G4A

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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