SCHEMBL9505213

SCHEMBL9505213

CCOC(=O)[C@@H](N=Cc1ccc(OC)cc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PPARG P37231 1/20 0.44
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
GSK3B P49841 1/20 0.44
AURKA O14965 1/20 0.44
MIF P14174 2/20 0.44
MEN1 O00255 2/20 0.44
MITF O75030 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL8420527 0.88 TDP1 (0.48) LMNATDP1CYP1A2KMT2APOLB
SCHEMBL28466560 0.87 CYP1A2 (0.51) LMNATDP1CYP1A2KMT2APOLB
SCHEMBL29176913 0.86 CYP1A2 (0.50) LMNATDP1CYP1A2KMT2APOLB
SCHEMBL8228438 0.83 MIF (0.52) LMNATDP1CYP1A2PPARGGSK3B
SCHEMBL29176923 0.82 SMN1; SMN2 (0.42) LMNAKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL29176926 0.82 SMN1; SMN2 (0.42) LMNAKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8196049 0.80 TAS1R3 (0.50) LMNATDP1CYP1A2KMT2APOLB
SCHEMBL8196051 0.80 TAS1R3 (0.50) LMNATDP1CYP1A2KMT2APOLB
SCHEMBL28453512 0.77 MIF (0.48) LMNACYP1A2POLBSMN1; SMN2L3MBTL1
SCHEMBL13925574 0.76 MIF (0.66) CYP1A2KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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-0373549-B1 AMINO ACID DERIVATIVES WITH ENZYME-INHIBITING PROPERTIES, PROCESS TO SYNTHETISE THEM, COMPOSITION CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-01 EP disclosed
US-5185324-A ENZYME-INHIBITING AMINO ACID DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF, AGENTS CONTAINING THESE, AND THE USE THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-09 US disclosed
EP-0373549-A2 Amino acid derivatives with enzyme-inhibiting properties, process to synthetise them, composition containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-20 EP disclosed