SCHEMBL7959801

SCHEMBL7959801

NC(=O)N(O)C1CCC(c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
AKR1C1 Q04828 1/20 0.51
ALOX5 P09917 2/20 0.48
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD11B1 P28845 1/20 0.38
SRD5A1 P18405 1/20 0.37
LIPG Q9Y5X9 2/20 0.37
SLC9A1 P19634 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
SCHEMBL7972821 1.00 AKR1C3 (0.51) AKR1C3AKR1C1ALOX5KDM4ENPC1
SCHEMBL7973212 1.00 AKR1C3 (0.51) AKR1C3AKR1C1ALOX5KDM4ENPC1
SCHEMBL7972824 1.00 AKR1C3 (0.51) AKR1C3AKR1C1ALOX5KDM4ENPC1
SCHEMBL7973213 1.00 AKR1C3 (0.51) AKR1C3AKR1C1ALOX5KDM4ENPC1
SCHEMBL7969772 0.92 ALOX5 (0.47) AKR1C3AKR1C1ALOX5KDM4E
SCHEMBL9195805 0.92 ALOX5 (0.47) AKR1C3AKR1C1ALOX5KDM4E
SCHEMBL7969770 0.92 ALOX5 (0.47) AKR1C3AKR1C1ALOX5KDM4E
SCHEMBL7969771 0.92 ALOX5 (0.47) AKR1C3AKR1C1ALOX5KDM4E
SCHEMBL9195806 0.92 ALOX5 (0.47) AKR1C3AKR1C1ALOX5KDM4E
SCHEMBL7969789 0.90 AKR1C3 (0.46) AKR1C3AKR1C1ALOX5KDM4ENPC1

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
US-6291520-B1 INHIBIT THE ENZYME LIPOXYGENASE; TREATMENT OR ALLEVIATION OF INFLAMMATORY DISEASES, ALLERGIC CONDITIONS AND CARDIOVASCULAR DISEASES PFIZER 2001-09-18 US claimed
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
EP-0559743-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE. PFIZER HOSPITAL PROD (US) 1993-09-15 EP disclosed
WO-1992009566-A1 NOVEL HYDROXAMIC ACID AND N-HYDROXYUREA DERIVATIVES AND THEIR USE PFIZER INC. (US) 1992-06-11 WO disclosed