SCHEMBL10810561

SCHEMBL10810561

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 7/20 0.43
▸ THRB P10828 6/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL10808826 1.00 THRA (0.43) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10811408 0.98 THRA (0.43) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10808193 0.98 THRA (0.43) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10806555 0.95 THRA (0.43) THRATHRB
SCHEMBL10807951 0.95 THRA (0.43) THRATHRB
SCHEMBL10811673 0.89 THRA (0.44) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10804868 0.89 S1PR1 (0.40) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10807718 0.89 S1PR1 (0.40) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10809383 0.87 THRA (0.44) THRATHRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL10808608 0.86 S1PR1 (0.44) —

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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