SCHEMBL7973200

SCHEMBL7973200

NC(=O)N(O)[C@H]1C[C@@H](c2ccc(Cl)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
SLC9A1 P19634 1/20 0.42
SRD5A1 P18405 1/20 0.40
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
HDAC2 Q92769 1/20 0.35
HTR3A P46098 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NPC1 O15118 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
SCHEMBL7976148 1.00 ALOX5 (0.47) ALOX5SLC9A1SRD5A1ALDH1A1POLB
SCHEMBL7973196 1.00 ALOX5 (0.47) ALOX5SLC9A1SRD5A1ALDH1A1POLB
SCHEMBL7972927 0.89 ALOX5 (0.40) ALOX5SLC9A1SRD5A1ALDH1A1POLB
SCHEMBL7972676 0.89 ALOX5 (0.40) ALOX5SLC9A1SRD5A1ALDH1A1POLB
SCHEMBL7972680 0.89 ALOX5 (0.40) ALOX5SLC9A1SRD5A1ALDH1A1POLB
SCHEMBL7972924 0.89 ALOX5 (0.40) ALOX5SLC9A1SRD5A1ALDH1A1POLB
SCHEMBL7972679 0.89 ALOX5 (0.40) ALOX5SLC9A1SRD5A1ALDH1A1POLB
SCHEMBL7972931 0.83 ALOX5 (0.47) ALOX5ALDH1A1ALOX12SMN1; SMN2MAPT
SCHEMBL7969766 0.83 ALOX5 (0.47) ALOX5ALDH1A1ALOX12SMN1; SMN2MAPT
SCHEMBL7969764 0.83 ALOX5 (0.47) ALOX5ALDH1A1ALOX12SMN1; SMN2MAPT

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