SCHEMBL9773233

SCHEMBL9773233

CC(NC(=O)OC(C)(C)C)C(=O)N1[C@H](C(=O)OCc2ccccc2)C[C@@H]2CCC[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.54
ACE P12821 7/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
PREP P48147 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
FKBP1A P62942 1/20 0.43
SYK P43405 1/20 0.42
PPARA Q07869 1/20 0.42
CMA1 P23946 1/20 0.42
KLK5 Q9Y337 1/20 0.42

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
SCHEMBL9592654 1.00 CTSL (0.54) CTSLACEKMT2AMEN1CYP3A4
SCHEMBL9256682 0.98 CTSL (0.54) CTSLACEKMT2AMEN1CYP3A4
SCHEMBL9732240 0.92 ACE (0.51) CTSLACEKMT2AMEN1CYP3A4
SCHEMBL9175234 0.86 ACE (0.60) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL9176326 0.86 ACE (0.60) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL10591582 0.85 ACE (0.64) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL9327739 0.85 CTSL (0.49) CTSLACEKMT2AMEN1CYP3A4
SCHEMBL9775244 0.85 ACE (0.56) CTSLACEKMT2AMEN1CYP3A4
SCHEMBL9775237 0.85 ACE (0.56) CTSLACEKMT2AMEN1CYP3A4
SCHEMBL12684557 0.84 FKBP1A (0.46) CTSLACEKMT2AMEN1CYP3A4

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-5043346-A Amino acid esters, pharmaceuticals containing them, and the use thereof in learning disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed