SCHEMBL8965080

SCHEMBL8965080

C[C@H](/C=C/c1cccc(-c2ccc(C#N)cc2)c1)N(O)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
ALOX12 P18054 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HIF1A Q16665 1/20 0.53
LMNA P02545 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL8965179 0.91 ALOX5 (0.43) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL8966232 0.86 ALOX5 (0.70) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9175946 0.83 ALOX5 (0.77) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9175798 0.83 ALOX5 (0.77) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9176406 0.83 ALOX5 (0.77) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9175945 0.83 ALOX5 (0.77) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL9063404 0.80 PTGS2 (0.41) MMP2HDAC2PTGS2PSEN1PSEN2
SCHEMBL9063402 0.80 PTGS2 (0.41) MMP2HDAC2PTGS2PSEN1PSEN2
SCHEMBL8965583 0.79 ALOX5 (0.58) ALOX5MAPTMEN1ALDH1A1TP53
SCHEMBL8965581 0.79 ALOX5 (0.58) 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-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed