SCHEMBL10811070

SCHEMBL10811070

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

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 8/20 0.45
▸ THRB P10828 7/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL10804821 1.00 THRA (0.45) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10809793 0.98 THRA (0.45) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10807119 0.98 THRA (0.45) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10804074 0.95 THRA (0.46) THRATHRB
SCHEMBL10809712 0.95 THRA (0.46) THRATHRB
SCHEMBL10811338 0.90 THRA (0.45) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10808324 0.90 THRA (0.45) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10809261 0.89 THRA (0.46) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10805906 0.89 THRA (0.41) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10805744 0.89 THRA (0.41) THRATHRBKDM4EALDH1A1SMN1; SMN2

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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