SCHEMBL10805976

SCHEMBL10805976

CCCCCCCCCCCCCc1cccc(OCC(COP(=O)(O)CC[N+](C)(C)C)OC(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 5/20 0.47
▸ PPARG P37231 3/20 0.47
▸ CETP P11597 4/20 0.46
▸ ADRA1D P25100 1/20 0.43
▸ PTAFR P25105 1/20 0.43
▸ HTR1D P28221 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ P2RY10 O00398 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41
▸ S1PR5 Q9H228 1/20 0.41
▸ GGPS1 O95749 1/20 0.40
▸ GPR174 Q9BXC1 1/20 0.40
▸ GPR34 Q9UPC5 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
SCHEMBL10804674 0.96 PPARA (0.47) PPARAPPARGCETPADRA1DPTAFR
SCHEMBL10805739 0.91 PPARA (0.47) PPARAPPARGCETPGGPS1
SCHEMBL10813542 0.89 S1PR1 (0.51) CETPADRA1DPTAFRHTR1DHTR2C
SCHEMBL10806442 0.89 S1PR1 (0.51) CETPADRA1DPTAFRHTR1DHTR2C
SCHEMBL10817789 0.88 PPARA (0.49) PPARAPPARGCETPP2RY10S1PR4
SCHEMBL9651352 0.87 PPARA (0.54) PPARAPPARGP2RY10S1PR4S1PR1
SCHEMBL10808732 0.85 S1PR1 (0.51) CETPADRA1DPTAFRHTR1DHTR2C
SCHEMBL10807984 0.85 S1PR1 (0.51) CETPADRA1DPTAFRHTR1DHTR2C
SCHEMBL10809708 0.82 ADRA1D (0.45) PPARAPPARGCETPADRA1DPTAFR
SCHEMBL10806823 0.80 PPARA (0.47) PPARAPPARGADRA1DPTAFRHTR1D

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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