SCHEMBL10808028

SCHEMBL10808028

CCCCCCCCCCCCc1ccc(OCC(COP(O)OCCCN(C)C)OC(C)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.41
▸ THRA P10827 3/20 0.41
▸ THRB P10828 3/20 0.41
▸ S1PR1 P21453 3/20 0.41
▸ S1PR4 O95977 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SLCO1B3 Q9NPD5 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL10808326 1.00 HRH3 (0.41) HRH3THRATHRBS1PR1S1PR4
SCHEMBL10805744 0.97 THRA (0.41) HRH3THRATHRBS1PR1S1PR4
SCHEMBL10805906 0.97 THRA (0.41) HRH3THRATHRBS1PR1S1PR4
SCHEMBL10807570 0.95 THRA (0.42) HRH3THRATHRBS1PR1S1PR4
SCHEMBL10806773 0.95 THRA (0.42) HRH3THRATHRBS1PR1S1PR4
SCHEMBL10808932 0.93 HRH3 (0.41) HRH3THRATHRBS1PR1S1PR4
SCHEMBL10809457 0.93 HRH3 (0.41) HRH3THRATHRBS1PR1S1PR4
SCHEMBL10810673 0.89 PPARA (0.46) THRATHRB
SCHEMBL10813119 0.89 PPARA (0.46) THRATHRB
SCHEMBL10811864 0.88 THRA (0.42) HRH3THRATHRBS1PR1S1PR4

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
Send feedback