SCHEMBL9490077

SCHEMBL9490077

COC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
ROCK2 O75116 2/20 0.35
GAA P10253 1/20 0.34
ROCK1 Q13464 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
CPS1 P31327 1/20 0.31

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
SCHEMBL9874165 1.00 HPGD (0.38) HPGDROCK2GAAROCK1NPC1
SCHEMBL10594984 0.88 HPGD (0.50) HPGDGAANPC1RAB9ASMN1; SMN2
SCHEMBL9491280 0.88 HPGD (0.50) HPGDGAANPC1RAB9ASMN1; SMN2
SCHEMBL9875263 0.88 HPGD (0.50) HPGDGAANPC1RAB9ASMN1; SMN2
SCHEMBL10890329 0.88 MAPT (0.38) HPGDROCK2GAASMN1; SMN2
SCHEMBL9561752 0.88 MAPT (0.38) HPGDROCK2GAASMN1; SMN2
SCHEMBL7796110 0.88 MAPT (0.38) HPGDROCK2GAASMN1; SMN2
SCHEMBL9874727 0.85 HPGD (0.43) HPGDROCK2GAAROCK1NPC1
SCHEMBL29445577 0.85 HPGD (0.43) HPGDROCK2GAAROCK1NPC1
SCHEMBL9489704 0.85 HPGD (0.43) HPGDROCK2GAAROCK1NPC1

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-0345464-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-AMINO-2-(BENZOYL)ACRYLIC ACID ESTERS AS WELL AS A PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR ANTIBACTERIAL ACTIVE AGENTS FROM THESE COMPOUNDS Chemie Linz Gesellschaft m.b.H. (AT) 1993-03-17 EP disclosed
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
EP-0345464-A2 Process for the preparation of substituted 3-amino-2-(benzoyl)acrylic acid esters as well as a process for the preparation of intermediates for antibacterial active agents from these compounds Chemie Linz Gesellschaft m.b.H. (AT) 1989-12-13 EP disclosed