SCHEMBL9452304

SCHEMBL9452304

[CH2]CCc1ccc(OC(N)CCCCCO)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 5/20 0.37
▸ CA2 P00918 3/20 0.36
▸ LTA4H P09960 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PPARA Q07869 5/20 0.34
▸ PPARG P37231 5/20 0.34
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ S1PR4 O95977 2/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ S1PR5 Q9H228 2/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL8797285 0.78 THRB (0.35) CA2PPARAPPARGS1PR4S1PR1
Hydrochloric Acid SCHEMBL29796884 0.72 SLC2A1 (0.46) SPHK1PPARAS1PR4S1PR1S1PR5
SCHEMBL8798288 0.71 LTA4H (0.50) LTA4HEPHX2MEN1USP2ALDH1A1
SCHEMBL9112221 0.68 POLB (0.50) CA2LTA4HEPHX2PPARACYP4F2
SCHEMBL9027085 0.68 POLB (0.50) CA2LTA4HEPHX2PPARACYP4F2
SCHEMBL8723163 0.67 ALDH1A1 (0.51) SPHK1PPARAS1PR4S1PR1S1PR5
SCHEMBL9846533 0.67 S1PR1 (0.39) SPHK1S1PR4S1PR1S1PR5S1PR2
SCHEMBL7295581 0.67 POLB (0.52) ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL23266258 0.66 POLB (0.51) CA2LTA4HEPHX2PPARACYP4F2
SCHEMBL8797551 0.65 ALDH1A1 (0.52) LTA4HEPHX2MEN1USP2ALDH1A1

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
EP-0552379-A1 DIHYDROPYRIDINE DERIVATIVES, AND PROCESS FOR THEIR PREPARATION. FUJISAWA PHARMACEUTICAL CO (JP) 1993-07-28 — — EP disclosed
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