SCHEMBL7970872

SCHEMBL7970872

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.47
SLC9A1 P19634 1/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM1A O60341 2/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL7970869 1.00 ALOX5 (0.47) ALOX5SLC9A1LMNAPOLBSLC18A3
SCHEMBL7972996 0.90 ALOX5 (0.51) ALOX5SLC9A1LMNAPOLBTP53
SCHEMBL7971261 0.85 ALOX5 (0.47) ALOX5SLC9A1POLBHTR2AHTR2C
SCHEMBL7971258 0.85 ALOX5 (0.47) ALOX5SLC9A1POLBHTR2AHTR2C
SCHEMBL7975745 0.84 ALOX5 (0.50) ALOX5KDM1A
SCHEMBL7975742 0.84 ALOX5 (0.50) ALOX5KDM1A
SCHEMBL7969361 0.84 ALOX5 (0.44) ALOX5POLBHTR2C
SCHEMBL7969363 0.84 ALOX5 (0.44) ALOX5POLBHTR2C
SCHEMBL7969804 0.79 ALOX5 (0.62) ALOX5SLC9A1KDM1ASLC6A2HTR2A
SCHEMBL7969802 0.79 ALOX5 (0.62) ALOX5SLC9A1KDM1ASLC6A2HTR2A

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