SCHEMBL7972771

SCHEMBL7972771

Cc1ccc([C@@H]2CC[C@H](N(O)C(N)=O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36
LMNA P02545 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAP1LC3B Q9GZQ8 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR1 O14842 1/20 0.33
SLC18A3 Q16572 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL7973077 1.00 ALOX5 (0.40) ALOX5CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL7972773 1.00 ALOX5 (0.40) ALOX5CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL7972772 1.00 ALOX5 (0.40) ALOX5CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL7973079 1.00 ALOX5 (0.40) ALOX5CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL7972931 0.89 ALOX5 (0.47) ALOX5CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL7969766 0.89 ALOX5 (0.47) ALOX5CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL7969764 0.89 ALOX5 (0.47) ALOX5CYP2C9ALDH1A1CYP1A2CYP3A4
SCHEMBL7959762 0.85 ALOX5 (0.53) ALOX5HRH3AKR1C3AKR1C1NPC1
SCHEMBL7959765 0.85 ALOX5 (0.53) ALOX5HRH3AKR1C3AKR1C1NPC1
SCHEMBL7971120 0.85 ALOX5 (0.53) ALOX5HRH3AKR1C3AKR1C1NPC1

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