SCHEMBL10808152

SCHEMBL10808152

CCCCCCCCCCCCCCc1ccc(OCC(COP(O)OCCN(C)C)OC(=O)CCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 3/20 0.43
▸ THRB P10828 3/20 0.43
▸ S1PR1 P21453 3/20 0.40
▸ S1PR4 O95977 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ CNR2 P34972 4/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ PLA2G4A P47712 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLCO1B3 Q9NPD5 1/20 0.38

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
SCHEMBL10808992 1.00 THRA (0.43) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL10807339 0.94 THRA (0.42) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL10811864 0.94 THRA (0.42) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL10810610 0.91 THRA (0.44) THRATHRBCNR2CNR1PLA2G4A
SCHEMBL10806773 0.91 THRA (0.42) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL10807570 0.91 THRA (0.42) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL10810128 0.90 THRA (0.45) THRATHRBS1PR1S1PR4S1PR3
SCHEMBL10809457 0.90 HRH3 (0.41) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL10808932 0.90 HRH3 (0.41) THRATHRBS1PR1S1PR4S1PR5
SCHEMBL10811852 0.89 PPARA (0.46) THRATHRBCNR2CNR1

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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