SCHEMBL4789837

SCHEMBL4789837

COc1cc(CN2CC3CC2CN3Cc2ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc2)ccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
ENPP2 Q13822 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
IDH1 O75874 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
S1PR1 P21453 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3025575 1.00 LTA4H (0.42) LTA4HENPP2SIGMAR1PPARGPPARA
SCHEMBL3035481 0.94 LTA4H (0.43) LTA4HENPP2SIGMAR1PPARGPPARA
SCHEMBL3035623 0.92 IDH1 (0.37) LTA4HSIGMAR1HCRTR1HCRTR2IDH1
SCHEMBL3030395 0.85 LTA4H (0.44) LTA4HSIGMAR1HCRTR1HCRTR2
SCHEMBL3032148 0.83 LTA4H (0.55) LTA4H
SCHEMBL3035446 0.81 KMT2A (0.38) LTA4HHCRTR1HCRTR2IDH1
SCHEMBL3040988 0.79 IDH1 (0.37) LTA4HSIGMAR1HCRTR1HCRTR2IDH1
SCHEMBL31688123 0.79 LTA4H (0.45) LTA4HSIGMAR1HCRTR1HCRTR2
SCHEMBL3039178 0.79 LTA4H (0.45) LTA4HSIGMAR1HCRTR1HCRTR2
SCHEMBL3041244 0.77 LTA4H (0.57) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976828-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Schering Aktiengesellschaft (DE) 2008-10-08 EP disclosed
WO-2007079078-A1 DIAMINE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed