SCHEMBL10808155

SCHEMBL10808155

CCCCCCCCCCCCCCOc1ccc(CC(COP(O)OCCN(C)C)OC(=O)CC)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 9/20 0.46
▸ THRB P10828 8/20 0.46
▸ ESR1 P03372 1/20 0.39
▸ PLA2G4B P0C869 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 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
SCHEMBL10805761 1.00 THRA (0.46) THRATHRBESR1PLA2G4BTP53
SCHEMBL10811338 0.95 THRA (0.45) THRATHRBPLA2G4BITGB3ITGA2B
SCHEMBL10808324 0.95 THRA (0.45) THRATHRBPLA2G4BITGB3ITGA2B
SCHEMBL10808557 0.94 THRA (0.47) THRATHRBESR1ITGB3ITGA2B
SCHEMBL10810101 0.94 THRA (0.47) THRATHRBESR1ITGB3ITGA2B
SCHEMBL10804074 0.92 THRA (0.46) THRATHRBESR1PLA2G4B
SCHEMBL10809712 0.92 THRA (0.46) THRATHRBESR1PLA2G4B
SCHEMBL10808906 0.90 THRA (0.44) THRATHRB
SCHEMBL10810038 0.90 THRA (0.43) THRATHRB
SCHEMBL10805313 0.89 THRA (0.47) THRATHRBPLA2G4B

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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