SCHEMBL8783000

SCHEMBL8783000

C[C@@H](CNC(=O)c1ccc(Oc2cc(F)cs2)o1)N(O)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.40
EPHX2 P34913 3/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
KLKB1 P03952 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8782871 1.00 ALOX5 (0.40) ALOX5EPHX2ALDH1A1MAPTKLKB1
SCHEMBL8783077 0.83 ALOX5 (0.56) ALOX5ALDH1A1MAPTKLKB1CYP1A2
SCHEMBL8783087 0.83 ALOX5 (0.56) ALOX5ALDH1A1MAPTKLKB1CYP1A2
SCHEMBL8783317 0.83 ALOX5 (0.56) ALOX5ALDH1A1MAPTKLKB1CYP1A2
SCHEMBL8782867 0.77 ALOX5 (0.45) ALOX5EPHX2ALDH1A1MAPTKLKB1
SCHEMBL8782860 0.77 ALOX5 (0.45) ALOX5EPHX2ALDH1A1MAPTKLKB1
SCHEMBL8782995 0.77 ALOX5 (0.45) ALOX5EPHX2ALDH1A1MAPTKLKB1
SCHEMBL8783114 0.73 ALOX5 (0.55) ALOX5EPHX2ALDH1A1MAPTKLKB1
SCHEMBL9207904 0.73 ALOX5 (0.69) ALOX5ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8942609 0.69 ALOX5 (0.52) ALOX5ALDH1A1MAPTCYP1A2CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595995-B1 ARYLAMIDOALKYL- AND ARYLAMINOALKYL-N-HYDROXYUREA COMPOUNDS AND -N-HYDROXYFORMAMIDE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1997-01-15 EP claimed
EP-0595995-B1 ARYLAMIDOALKYL- AND ARYLAMINOALKYL-N-HYDROXYUREA COMPOUNDS AND -N-HYDROXYFORMAMIDE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed