SCHEMBL9176406

SCHEMBL9176406

C[C@@H](C=Cc1cccc(Oc2ccc(C#N)cc2)c1)N(O)C(N)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.77
MAPT P10636 2/20 0.77
MEN1 O00255 1/20 0.77
ALDH1A1 P00352 1/20 0.77
TP53 P04637 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
HPGD P15428 1/20 0.77
ALOX15 P16050 1/20 0.77
TSHR P16473 1/20 0.77
ALOX12 P18054 1/20 0.77
NFKB1 P19838 1/20 0.77
MAPK1 P28482 1/20 0.77
CYP2C19 P33261 1/20 0.77
KMT2A Q03164 1/20 0.77
HIF1A Q16665 1/20 0.77
LMNA P02545 1/20 0.77
BLM P54132 1/20 0.77

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
SCHEMBL9175946 1.00 ALOX5 (0.77) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9175945 1.00 ALOX5 (0.77) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9175798 1.00 ALOX5 (0.77) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9175657 0.91 ALOX5 (0.64) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9176122 0.91 ALOX5 (0.64) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9173571 0.91 ALOX5 (0.64) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9176127 0.91 ALOX5 (0.64) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL2681949 0.87 ALOX5 (1.00) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9514428 0.87 ALOX5 (1.00) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9515717 0.87 ALOX5 (0.80) ALOX5MAPTMEN1ALDH1A1TP53

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
EP-0652864-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-05-17 EP claimed
WO-1994002448-A1 HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-03 WO claimed