SCHEMBL9875263

SCHEMBL9875263

COC(=O)/C(=C/NC1CC1)C(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
PYGL P06737 1/20 0.35

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
SCHEMBL10594984 1.00 HPGD (0.50) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9491280 1.00 HPGD (0.50) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL29445577 0.94 HPGD (0.43) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9489704 0.94 HPGD (0.43) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9874727 0.94 HPGD (0.43) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL10592860 0.89 GAA (0.48) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL5256942 0.89 GAA (0.48) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9492350 0.89 GAA (0.48) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9874165 0.88 HPGD (0.38) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9490077 0.88 HPGD (0.38) HPGDGAASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011971-A Process for the preparation of substituted 3-amino-2 (benzoyl)-acrylic acid esters, and a process for the preparation of intermediates for antibacterial active compounds from these compounds CHEMIE LINZ GESELLSCHAFT M.B.H. (AT) 1991-04-30 US disclosed