SCHEMBL7971258

SCHEMBL7971258

NC(=O)N(O)CC1CC(c2ccc(Cl)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.47
SLC9A1 P19634 1/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
ABCC1 P33527 1/20 0.35
IDO1 P14902 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL7971261 1.00 ALOX5 (0.47) ALOX5SLC9A1HRH3ALDH1A1POLB
SCHEMBL7970872 0.85 ALOX5 (0.47) ALOX5SLC9A1POLBTP53HTR2A
SCHEMBL7970869 0.85 ALOX5 (0.47) ALOX5SLC9A1POLBTP53HTR2A
SCHEMBL7975745 0.84 ALOX5 (0.50) ALOX5
SCHEMBL7975742 0.84 ALOX5 (0.50) ALOX5
SCHEMBL7969363 0.81 ALOX5 (0.44) ALOX5ALDH1A1POLBMAPK1GAA
SCHEMBL7969361 0.81 ALOX5 (0.44) ALOX5ALDH1A1POLBMAPK1GAA
SCHEMBL7971059 0.79 ALOX5 (0.62) ALOX5SLC9A1HTR2AHTR2CHTR2B
SCHEMBL7971054 0.79 ALOX5 (0.62) ALOX5SLC9A1HTR2AHTR2CHTR2B
SCHEMBL7976148 0.76 ALOX5 (0.47) ALOX5SLC9A1ALDH1A1POLBALOX12

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
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US disclosed
EP-0559743-B1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER (US) 1995-03-08 EP disclosed