SCHEMBL8934837

SCHEMBL8934837

CC(=O)CCCCCCCCCCCCCCc1ccc(OCCc2c[nH]cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
FFAR1 O14842 3/20 0.43
PLA2G4A P47712 1/20 0.42
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 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
SCHEMBL4383862 0.94 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AFFAR1PLA2G4A
SCHEMBL4383472 0.90 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AFFAR1S1PR1
SCHEMBL4378585 0.86 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AFFAR1LMNA
SCHEMBL8795425 0.80 FFAR1 (0.39) FFAR1PLA2G4AS1PR1S1PR3S1PR5
SCHEMBL4378557 0.80 POLB (0.42) ALDH1A1FFAR1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4390063 0.80 FFAR1 (0.38) ALDH1A1MEN1KMT2AFFAR1LMNA
SCHEMBL7961178 0.78 HRH3 (0.58) ALDH1A1LMNAL3MBTL1SMN1; SMN2
SCHEMBL4379786 0.78 ITGB3 (0.40) MEN1KMT2AFFAR1PLA2G4AS1PR1
SCHEMBL2628226 0.78 FFAR1 (0.52) ALDH1A1MEN1KMT2AFFAR1PLA2G4A
SCHEMBL7977271 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAL3MBTL1

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
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed