SCHEMBL8965132

SCHEMBL8965132

C[C@@H](/C=C/c1cccc(-c2ccc(F)cc2)c1)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
RELA Q04206 1/20 0.48
NFE2L2 Q16236 6/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MAPT P10636 2/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 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
SCHEMBL8965561 1.00 BCL2L1 (0.48) BCL2L1BADRELANFE2L2HDAC2
SCHEMBL8965558 1.00 BCL2L1 (0.48) BCL2L1BADRELANFE2L2HDAC2
SCHEMBL8965199 0.90 NFE2L2 (0.46) RELANFE2L2KDM1AHDAC1HDAC6
SCHEMBL8965087 0.88 MEN1 (0.44) NFE2L2MEN1HPGDKMT2ALMNA
SCHEMBL8964908 0.85 CYP17A1 (0.48) BCL2L1BADRELANFE2L2CYP3A4
SCHEMBL9063905 0.85 HDAC2 (0.43) RELAHDAC2HDAC8PTGS2CNR1
SCHEMBL8964911 0.85 CYP17A1 (0.48) BCL2L1BADRELANFE2L2CYP3A4
SCHEMBL8964910 0.85 CYP17A1 (0.48) BCL2L1BADRELANFE2L2CYP3A4
SCHEMBL8964905 0.85 CYP17A1 (0.48) BCL2L1BADRELANFE2L2CYP3A4
SCHEMBL9063419 0.85 HDAC2 (0.43) RELAHDAC2HDAC8PTGS2CNR1

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 4 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
EP-0696272-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING N(3-BIPHENYLYL-1(S)-METHYL-2-PROPENYL) ACETOHYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025431-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING N(3-BIPHENYLYL-1(S)-METHYL-2-PROPENYL) ACETOHYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed