SCHEMBL9218329

SCHEMBL9218329

COC1(c2cc(OCc3ccccc3)cc([N+](=O)[O-])c2)CCOC(C)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TLR3 O15455 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL9254806 0.87 MEN1 (0.40) ALOX5MEN1KMT2AMAPTTLR3
SCHEMBL9226267 0.83 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL9226271 0.83 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL9210920 0.83 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL9218747 0.82 ALOX5 (0.57) ALOX5
SCHEMBL9227946 0.82 ALOX5 (0.57) ALOX5
SCHEMBL9225334 0.81 ALOX5 (0.40) ALOX5PTGS1PTGS2
SCHEMBL9221969 0.74 ALOX5 (0.51) ALOX5PTGS1PTGS2
SCHEMBL9228704 0.74 ALOX5 (0.51) ALOX5PTGS1PTGS2
SCHEMBL9227636 0.72 ALOX5 (0.63) ALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385662-B1 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LTD (GB) 1995-12-13 EP disclosed
US-5401751-A Enzyme inhibitors for 5-lipoxygenase ZENECA LIMITED (GB) 1995-03-28 US disclosed
US-5236919-A Inhibitorsof enzyme 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 US disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 EP disclosed