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Sugi Predict / Compounds / SCHEMBL10810100

SCHEMBL10810100

SCHEMBL10810100

CCCCCCCCCCCCCOc1cccc(CC(COP(O)OCCN(C)C)OC(=O)CCC)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 9/20 0.48
▸ THRB P10828 8/20 0.48
▸ CYP2D6 P10635 2/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ PLA2G4B P0C869 1/20 0.40
▸ CNR2 P34972 4/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ GGPS1 O95749 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
SCHEMBL10805313 0.95 THRA (0.47) THRATHRBCYP2D6KCNH2PLA2G4B
SCHEMBL10806707 0.91 THRA (0.46) THRATHRBCYP2D6KCNH2CNR2
SCHEMBL10803876 0.91 THRA (0.47) THRATHRBCYP2D6KCNH2PLA2G4B
SCHEMBL10809631 0.90 THRA (0.46) THRATHRBCYP2D6KCNH2PLA2G4B
SCHEMBL10808557 0.89 THRA (0.47) THRATHRBCNR2
SCHEMBL10810101 0.89 THRA (0.47) THRATHRBCNR2
SCHEMBL10811852 0.89 PPARA (0.46) THRATHRBCYP2D6KCNH2CNR2
SCHEMBL10806725 0.89 PPARA (0.46) THRATHRBCYP2D6KCNH2CNR2
SCHEMBL10803647 0.88 CYP2D6 (0.42) CYP2D6KCNH2PLA2G4BCNR2CNR1
SCHEMBL10812512 0.87 THRA (0.46) THRATHRBCYP2D6KCNH2PLA2G4B

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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