SCHEMBL9030461

SCHEMBL9030461

Cn1ccnc1C1=Cc2cc(OCCCC3(C(=O)O)CCCC3)ccc2OC1CCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
S1PR5 Q9H228 2/20 0.34
CYP4F2 P78329 8/20 0.34
CYP4A11 Q02928 8/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
LMNA P02545 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL6941867 0.93 MEN1 (0.43) MEN1MAPTMAPK1KMT2AALDH1A1
SCHEMBL9030844 0.88 ALOX5 (0.33) ALOX5S1PR1S1PR3S1PR5MEN1
SCHEMBL9031631 0.88 ALOX5 (0.38) ALOX5S1PR1S1PR3S1PR5CYSLTR1
SCHEMBL9293696 0.87 ALOX5 (0.34) ALOX5S1PR1S1PR3S1PR5MEN1
SCHEMBL9031031 0.87 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL9030891 0.84 PPARA (0.40) ALOX5CYP4F2CYP4A11
SCHEMBL9030875 0.84 ALOX5 (0.32) ALOX5
Cyclohexane Carboxamide SCHEMBL9031627 0.81 ALOX5 (0.39) ALOX5MAPT
SCHEMBL9029432 0.81 ALOX5 (0.35) ALOX5
SCHEMBL9029933 0.81 ALOX5 (0.36) ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP claimed
EP-0513285-B1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1996-01-24 EP disclosed
US-5356920-A Anticholesterol, antilipemic agent FARMITALIA CARLO ERBA SRL. (IT) 1994-10-18 US disclosed
WO-1992009582-A1 IMIDAZOL-2-YL DERIVATIVES OF SUBSTITUTED BICYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA SRL (IT) 1992-06-11 WO disclosed