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Sugi Predict / Compounds / SCHEMBL10810128

SCHEMBL10810128

SCHEMBL10810128

CCCCCCCCCCCOc1ccc(CCC(COP(O)OCCN(C)C)OC(=O)CCC)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 8/20 0.45
▸ THRB P10828 7/20 0.45
▸ TLR2 O60603 1/20 0.41
▸ CNR2 P34972 4/20 0.40
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ ESR1 P03372 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
SCHEMBL10810610 0.95 THRA (0.44) THRATHRBTLR2CNR2CNR1
SCHEMBL10808906 0.94 THRA (0.44) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL10804053 0.91 THRA (0.44) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL10808557 0.91 THRA (0.47) THRATHRBCNR2ESR1
SCHEMBL10810101 0.91 THRA (0.47) THRATHRBCNR2ESR1
SCHEMBL10808992 0.90 THRA (0.43) THRATHRBTLR2CNR2S1PR4
SCHEMBL10808152 0.90 THRA (0.43) THRATHRBTLR2CNR2S1PR4
SCHEMBL10810038 0.90 THRA (0.43) THRATHRBS1PR4S1PR1S1PR3
SCHEMBL10806707 0.90 THRA (0.46) THRATHRBCNR2CNR1
SCHEMBL10810237 0.87 TLR2 (0.45) TLR2CNR2S1PR4S1PR1S1PR3

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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