SCHEMBL4753500

SCHEMBL4753500

COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(OC(F)C(F)C(F)F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL4753971 0.88 LTA4H (0.53) LTA4HKMT2AALDH1A1SIGMAR1
SCHEMBL4757643 0.81 LTA4H (0.42) LTA4HMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL3037133 0.80 LTA4H (0.43) LTA4HL3MBTL1LMNAMEN1KMT2A
SCHEMBL5591610 0.79 LTA4H (0.46) LTA4HL3MBTL1LMNAMEN1KMT2A
SCHEMBL3039063 0.79 LTA4H (0.46) LTA4HL3MBTL1LMNAMEN1KMT2A
SCHEMBL4757592 0.77 LTA4H (0.38) LTA4HMEN1KMT2ASIGMAR1
SCHEMBL3038994 0.76 LTA4H (0.57) LTA4HMEN1KMT2AALDH1A1SIGMAR1
SCHEMBL3039580 0.75 KDM4E (0.42) LTA4HL3MBTL1LMNAMEN1KMT2A
SCHEMBL14606175 0.72 HDAC1 (0.50) LTA4HL3MBTL1LMNAMEN1KMT2A
SCHEMBL4757698 0.72 LTA4H (0.52) LTA4HALDH1A1

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