SCHEMBL8965195

SCHEMBL8965195

COc1ccc(-c2cccc(/C=C/[C@H](C)NO)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 5/20 0.49
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
NFE2L2 Q16236 2/20 0.46
APP P05067 1/20 0.46
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL8965132 0.83 BCL2L1 (0.48) RELANFE2L2HDAC2HDAC8CYP3A4
SCHEMBL8965561 0.83 BCL2L1 (0.48) RELANFE2L2HDAC2HDAC8CYP3A4
SCHEMBL9063905 0.83 HDAC2 (0.43) RELAHDAC2HDAC8NR1H4
SCHEMBL8965558 0.83 BCL2L1 (0.48) RELANFE2L2HDAC2HDAC8CYP3A4
SCHEMBL9063419 0.83 HDAC2 (0.43) RELAHDAC2HDAC8NR1H4
SCHEMBL9064292 0.80 HDAC2 (0.43) HDAC2HDAC8
SCHEMBL8965199 0.78 NFE2L2 (0.46) RELANFE2L2HDAC1HDAC6NQO2
SCHEMBL8965031 0.77 MAPT (0.48) RELAABL1ABCB1BCRHDAC4
SCHEMBL28498982 0.74 THRB (0.64) HDAC4HDAC2HDAC8ERCC5FEN1
SCHEMBL27684130 0.74 THRB (0.64) HDAC4HDAC2HDAC8ERCC5FEN1

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