SCHEMBL7969797

SCHEMBL7969797

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
HTR2C P28335 3/20 0.42
KDM4E B2RXH2 5/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KIF11 P52732 2/20 0.37

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
SCHEMBL7972776 1.00 ALOX5 (0.48) ALOX5HTR2CKDM4EGAATDP1
SCHEMBL7969793 1.00 ALOX5 (0.48) ALOX5HTR2CKDM4EGAATDP1
SCHEMBL9198851 0.90 HTR2C (0.43) ALOX5HTR2CKDM4EGAATDP1
SCHEMBL9198858 0.90 HTR2C (0.43) ALOX5HTR2CKDM4EGAATDP1
SCHEMBL7973201 0.90 HTR2C (0.43) ALOX5HTR2CKDM4EGAATDP1
SCHEMBL7973210 0.90 HTR2C (0.43) ALOX5HTR2CKDM4EGAATDP1
SCHEMBL7973205 0.90 HTR2C (0.43) ALOX5HTR2CKDM4EGAATDP1
SCHEMBL7975762 0.86 ALOX5 (0.44) ALOX5TDP1ALDH1A1MAPTKIF11
SCHEMBL7975858 0.86 ALOX5 (0.44) ALOX5TDP1ALDH1A1MAPTKIF11
SCHEMBL7975766 0.86 ALOX5 (0.44) ALOX5TDP1ALDH1A1MAPTKIF11

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