SCHEMBL9874727

SCHEMBL9874727

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.43
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 2/20 0.33
APEX1 P27695 1/20 0.33
MAPT P10636 1/20 0.32
ALPL P05186 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL29445577 1.00 HPGD (0.43) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9489704 1.00 HPGD (0.43) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9491280 0.94 HPGD (0.50) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9875263 0.94 HPGD (0.50) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL10594984 0.94 HPGD (0.50) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9211517 0.90 GAA (0.42) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9562462 0.90 GAA (0.42) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL9720579 0.90 GAA (0.42) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL10456009 0.90 HPGD (0.38) HPGDGAASMN1; SMN2NPC1RAB9A
SCHEMBL29754269 0.90 GAA (0.42) 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 2 patents. 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
US-4699992-A 3-amino-2-benzoylacrylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1987-10-13 US disclosed