SCHEMBL7972709

SCHEMBL7972709

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
LIPE Q05469 1/20 0.41
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2C P28335 3/20 0.37
ACACB O00763 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
SCHEMBL7969530 1.00 ALOX5 (0.46) ALOX5LIPEKDM4EALDH1A1POLB
SCHEMBL7972776 0.77 ALOX5 (0.48) ALOX5KDM4EALDH1A1POLBGAA
SCHEMBL7969797 0.77 ALOX5 (0.48) ALOX5KDM4EALDH1A1POLBGAA
SCHEMBL7969793 0.77 ALOX5 (0.48) ALOX5KDM4EALDH1A1POLBGAA
SCHEMBL7969363 0.73 ALOX5 (0.44) ALOX5KDM4EALDH1A1POLBGAA
SCHEMBL7969361 0.73 ALOX5 (0.44) ALOX5KDM4EALDH1A1POLBGAA
SCHEMBL9198851 0.71 HTR2C (0.43) ALOX5KDM4EALDH1A1POLBGAA
SCHEMBL7973205 0.71 HTR2C (0.43) ALOX5KDM4EALDH1A1POLBGAA
SCHEMBL7973210 0.71 HTR2C (0.43) ALOX5KDM4EALDH1A1POLBGAA
SCHEMBL7973201 0.71 HTR2C (0.43) ALOX5KDM4EALDH1A1POLBGAA

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