SCHEMBL7975858

SCHEMBL7975858

CC(C)(C)c1ccc([C@H]2C[C@@H](N(O)C(N)=O)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.44
MGLL Q99685 1/20 0.44
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SLC6A2 P23975 2/20 0.36
RIPK1 Q13546 1/20 0.36
LIPE Q05469 1/20 0.36
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NR2F2 P24468 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL7975766 1.00 ALOX5 (0.44) ALOX5MGLLRAB9ANPC1MEN1
SCHEMBL7975762 1.00 ALOX5 (0.44) ALOX5MGLLRAB9ANPC1MEN1
SCHEMBL7969797 0.86 ALOX5 (0.48) ALOX5KIF11ALDH1A1MAPTTDP1
SCHEMBL7969793 0.86 ALOX5 (0.48) ALOX5KIF11ALDH1A1MAPTTDP1
SCHEMBL7972776 0.86 ALOX5 (0.48) ALOX5KIF11ALDH1A1MAPTTDP1
SCHEMBL7973144 0.85 MGLL (0.39) ALOX5MGLLRAB9ANPC1MEN1
SCHEMBL7973141 0.85 MGLL (0.39) ALOX5MGLLRAB9ANPC1MEN1
SCHEMBL7972931 0.83 ALOX5 (0.47) ALOX5RAB9ANPC1MEN1KMT2A
SCHEMBL7969766 0.83 ALOX5 (0.47) ALOX5RAB9ANPC1MEN1KMT2A
SCHEMBL7969764 0.83 ALOX5 (0.47) ALOX5RAB9ANPC1MEN1KMT2A

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