SCHEMBL7972679

SCHEMBL7972679

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
SRD5A1 P18405 1/20 0.40
SLC9A1 P19634 1/20 0.39
LSS P48449 2/20 0.37
SLC2A1 P11166 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36
DEGS1 O15121 1/20 0.36
HTR3A P46098 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 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
SCHEMBL7972927 1.00 ALOX5 (0.40) ALOX5SRD5A1SLC9A1LSSSLC2A1
SCHEMBL7972676 1.00 ALOX5 (0.40) ALOX5SRD5A1SLC9A1LSSSLC2A1
SCHEMBL7972924 1.00 ALOX5 (0.40) ALOX5SRD5A1SLC9A1LSSSLC2A1
SCHEMBL7972680 1.00 ALOX5 (0.40) ALOX5SRD5A1SLC9A1LSSSLC2A1
SCHEMBL7973196 0.89 ALOX5 (0.47) ALOX5SRD5A1SLC9A1MAPTTP53
SCHEMBL7973200 0.89 ALOX5 (0.47) ALOX5SRD5A1SLC9A1MAPTTP53
SCHEMBL7976148 0.89 ALOX5 (0.47) ALOX5SRD5A1SLC9A1MAPTTP53
SCHEMBL7971120 0.85 ALOX5 (0.53) ALOX5SLC9A1HRH3
SCHEMBL7973077 0.85 ALOX5 (0.40) ALOX5MAPTLMNATP53CYP1A2
SCHEMBL7959762 0.85 ALOX5 (0.53) ALOX5SLC9A1HRH3

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