SCHEMBL3910992

SCHEMBL3910992

COc1cc(/C=C/C(=O)O)c(Br)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
GAA P10253 1/20 0.52
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A1 P68400 2/20 0.46
EIF2AK2 P19525 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL3910995 1.00 KDM4E (0.52) KDM4EGAALCKFYNALDH1A1
SCHEMBL4227846 0.90 BACE1 (0.49) KDM4EGAALCKFYNALDH1A1
SCHEMBL4227849 0.90 BACE1 (0.49) KDM4EGAALCKFYNALDH1A1
SCHEMBL2338994 0.89 PRKDC (0.58) KDM4EGAALCKFYNALDH1A1
SCHEMBL2338997 0.89 PRKDC (0.58) KDM4EGAALCKFYNALDH1A1
SCHEMBL3694305 0.84 BACE1 (0.62) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL3694306 0.84 BACE1 (0.62) KDM4EGAAALDH1A1SMN1; SMN2HPGD
SCHEMBL3921187 0.83 LCK (0.44) KDM4EGAALCKFYNALDH1A1
SCHEMBL3921183 0.83 LCK (0.44) KDM4EGAALCKFYNALDH1A1
SCHEMBL3911024 0.82 PRKDC (0.68) KDM4ELCKFYNALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024350-B1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2013-09-18 EP disclosed
EP-2024350-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS Anaconda Pharma (FR) 2009-02-18 EP disclosed
WO-2007135106-A1 PIPERIDINE DERIVATIVES AS HUMAN PAPILLOMA VIRUS INHIBITORS ANACONDA PHARMA (FR) 2007-11-29 WO disclosed