SCHEMBL9775310

SCHEMBL9775310

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.53
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
BTK Q06187 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL5716228 0.98 ACE (0.55) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL10747717 0.98 ACE (0.55) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL5364563 0.98 ACE (0.55) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL5716232 0.98 ACE (0.55) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL4404273 0.83 ACE (0.53) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL9773233 0.82 CTSL (0.54) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL9592654 0.82 CTSL (0.54) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL9775205 0.81 ACE (0.44) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL9256682 0.80 CTSL (0.54) ACEKMT2AMEN1CYP3A4ALOX15
SCHEMBL18829369 0.79 CHRM2 (0.45) ACEKMT2AMEN1CYP3A4ALOX15

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-5068242-A PYRROLIDINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE FOR PSYCHOTROPIC ACTION HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed