SCHEMBL8965087

SCHEMBL8965087

C[C@@H](/C=C/c1ccc(-c2ccc(F)cc2)cc1)NO

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NFE2L2 Q16236 6/20 0.42
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
HSD11B1 P28845 1/20 0.40
PTGS1 P23219 2/20 0.40
TRPA1 O75762 2/20 0.40
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
APP P05067 1/20 0.39
TNFRSF1A P19438 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL8964905 0.88 CYP17A1 (0.48) MEN1KMT2ANFE2L2PTGS1ALOX5
SCHEMBL8965561 0.88 BCL2L1 (0.48) MEN1KMT2ANFE2L2LMNAHPGD
SCHEMBL8965558 0.88 BCL2L1 (0.48) MEN1KMT2ANFE2L2LMNAHPGD
SCHEMBL8964910 0.88 CYP17A1 (0.48) MEN1KMT2ANFE2L2PTGS1ALOX5
SCHEMBL8965132 0.88 BCL2L1 (0.48) MEN1KMT2ANFE2L2LMNAHPGD
SCHEMBL8964911 0.88 CYP17A1 (0.48) MEN1KMT2ANFE2L2PTGS1ALOX5
SCHEMBL8964908 0.88 CYP17A1 (0.48) MEN1KMT2ANFE2L2PTGS1ALOX5
SCHEMBL8965199 0.76 NFE2L2 (0.46) NFE2L2PTGS1PTGS2
SCHEMBL9516689 0.75 ALOX5 (0.62) MEN1KMT2ANFE2L2LMNAHPGD
SCHEMBL9516692 0.75 ALOX5 (0.62) MEN1KMT2ANFE2L2LMNAHPGD

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