SCHEMBL7973144

SCHEMBL7973144

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.39
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
SLC22A3 O75751 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
NPY4R P50391 1/20 0.34
NPY5R Q15761 1/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.32
TYR P14679 1/20 0.32
CNR2 P34972 3/20 0.32

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
SCHEMBL7973141 1.00 MGLL (0.39) MGLLSLC22A2SLC22A1SLC22A3NPY1R
SCHEMBL7975858 0.85 ALOX5 (0.44) MGLLSLC22A2SLC22A1SLC22A3RAB9A
SCHEMBL7975762 0.85 ALOX5 (0.44) MGLLSLC22A2SLC22A1SLC22A3RAB9A
SCHEMBL7975766 0.85 ALOX5 (0.44) MGLLSLC22A2SLC22A1SLC22A3RAB9A
SCHEMBL7975918 0.80 ALOX5 (0.47) SLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL7975919 0.80 ALOX5 (0.47) SLC6A2SLC6A4SLC6A3ALOX5
SCHEMBL7972776 0.71 ALOX5 (0.48) ALOX5
SCHEMBL7969797 0.71 ALOX5 (0.48) ALOX5
SCHEMBL7969793 0.71 ALOX5 (0.48) ALOX5
SCHEMBL7969766 0.67 ALOX5 (0.47) RAB9AMEN1NPC1KMT2AALOX5

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