SCHEMBL9655495

SCHEMBL9655495

N=C(CC[C]=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
F12 P00748 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
PKM P14618 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NR4A2 P43354 1/20 0.38
CES1 P23141 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL276675 0.77 TDP1 (0.59) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL5487422 0.75 MAOA (0.44) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL31374745 0.75 F2 (0.46) F2F10F12F7F3
Benzoic Acid SCHEMBL16764671 0.71 TSHR (0.67) PKMTDP1MAPTCES1KMT2A
SCHEMBL13317140 0.71 CES2 (0.52) F2F10F12F7F3
SCHEMBL3661482 0.71 L3MBTL1 (0.48) F2F10F12F7F3
SCHEMBL10048780 0.71 HDAC3 (0.57) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL2035615 0.69 TDP1 (0.67) TDP1L3MBTL1MAPTLMNANR4A2
SCHEMBL9886169 0.69 GAA (0.40) F2F10F12F7F3
SCHEMBL9425725 0.68 PTGS2 (0.57) F2F10F12F7F3

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-0254627-B1 DERIVATIVES OF BENZHYDRYLOXYETHYLPIPERAZINE, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Société anonyme: LES LABORATOIRES MERAM (FR) 1992-06-17 EP claimed
US-4908365-A Pharmaceuticals SOCIETE ANONYME (FR) 1990-03-13 US disclosed
EP-0254627-A1 Derivatives of benzhydryloxyethylpiperazine, processes for their preparation and pharmaceutical compositions containing them Société anonyme: LES LABORATOIRES MERAM (FR) 1988-01-27 EP disclosed