SCHEMBL10804074

SCHEMBL10804074

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

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 8/20 0.46
▸ THRB P10828 7/20 0.46
▸ ESR1 P03372 1/20 0.39
▸ PLA2G4B P0C869 2/20 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
SCHEMBL10809712 1.00 THRA (0.46) THRATHRBESR1PLA2G4B
SCHEMBL10804821 0.95 THRA (0.45) THRATHRB
SCHEMBL10809793 0.95 THRA (0.45) THRATHRB
SCHEMBL10807119 0.95 THRA (0.45) THRATHRB
SCHEMBL10811070 0.95 THRA (0.45) THRATHRB
SCHEMBL10808155 0.92 THRA (0.46) THRATHRBESR1PLA2G4B
SCHEMBL10805761 0.92 THRA (0.46) THRATHRBESR1PLA2G4B
SCHEMBL10808557 0.90 THRA (0.47) THRATHRBESR1
SCHEMBL10810101 0.90 THRA (0.47) THRATHRBESR1
SCHEMBL10804053 0.90 THRA (0.44) THRATHRB

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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