SCHEMBL8965618

SCHEMBL8965618

CC(=O)N(O)[C@H](C)/C=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.44
ALOX5 P09917 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
PTGS2 P35354 1/20 0.40
TP53 P04637 1/20 0.40
CA1 P00915 1/20 0.40
MGLL Q99685 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL8965581 0.87 ALOX5 (0.58) HDAC2ALOX5TP53MAPT
SCHEMBL8965583 0.87 ALOX5 (0.58) HDAC2ALOX5TP53MAPT
SCHEMBL8965628 0.87 ALOX5 (0.47) ALOX5TP53MAPT
SCHEMBL8965095 0.81 ALOX5 (0.43) HDAC2ALOX5PTGS2TP53MAPT
SCHEMBL8965167 0.80 MAPT (0.43) HDAC2ALOX5HDAC1HDAC6PTGS2
SCHEMBL8965183 0.80 ALOX5 (0.56) HDAC2ALOX5HDAC1HDAC6PTGS2
SCHEMBL8965164 0.80 MAPT (0.43) HDAC2ALOX5HDAC1HDAC6PTGS2
SCHEMBL8964892 0.80 ALOX5 (0.42) HDAC2ALOX5PTGS2TP53MAPT
SCHEMBL8966842 0.80 ALOX5 (0.56) HDAC2ALOX5HDAC1HDAC6PTGS2
SCHEMBL8965185 0.80 ALOX5 (0.56) HDAC2ALOX5HDAC1HDAC6PTGS2

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