SCHEMBL9864211

SCHEMBL9864211

CCOC(=O)[C@@H](CCC1CCCCC1)N1CCC[C@@]1(C(=O)OCc1ccccc1)C(=O)[C@H](C)N

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
PLA2G1B P04054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
METAP2 P50579 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ACE P12821 1/20 0.37

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
SCHEMBL10789661 1.00 ALDH1A1 (0.39) ALDH1A1PLA2G1BNPSR1ATG4BMETAP2
SCHEMBL9863834 0.88 ACE (0.42) ACE
SCHEMBL8568423 0.79 ACE (0.45) ALDH1A1ACE
SCHEMBL10696084 0.79 ACE (0.45) ALDH1A1ACE
SCHEMBL10787666 0.74 ACE (0.37) ALDH1A1PLA2G1BNPSR1ATG4BMETAP2
SCHEMBL11034466 0.74 ACE (0.37) ALDH1A1PLA2G1BNPSR1ATG4BMETAP2
SCHEMBL5806086 0.74 ACE (0.45) ACE
SCHEMBL6508290 0.74 ACE (0.45) ACE
SCHEMBL9731804 0.74 ACE (0.45) ACE
SCHEMBL9733291 0.74 ACE (0.45) ACE

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068351-A PROCESS FOR THE PREPARATION OF N OCTAHYDROPENTA (6) PYRROLE CARBOXYLATES HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
US-5055591-A PROCESS FOR THE PREPARATION OF OCTAHYDROPENTA(B)PYRROLE CARBOXYLATES HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed
EP-0135181-B1 PROCESS FOR THE PRODUCTION OF N-ALKYLATED DIPEPTIDES AND OF THEIR ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-31 EP disclosed
EP-0135182-B1 PROCESS FOR THE PRODUCTION OF N-ALKYLATED DIPEPTIDES AND OF THEIR ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-27 EP disclosed
EP-0126986-B1 PROCESS FOR PRODUCING N-ALKYLATED DIPEPTIDES AND THEIR ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1987-08-05 EP disclosed
US-4525301-A REACTING TRIFLUOROMETHANE SULFONIC ACID DERIVATIVES WITH AMINO ACID ESTERS HOECHST AKTIENGESELLSCHAFT (DE) 1985-06-25 US disclosed
EP-0135182-A2 Process for the production of N-alkylated dipeptides and of their esters HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed
EP-0135181-A2 Process for the production of N-alkylated dipeptides and of their esters HOECHST AKTIENGESELLSCHAFT (DE) 1985-03-27 EP disclosed
EP-0126986-A1 Process for producing N-alkylated dipeptides and their esters HOECHST AKTIENGESELLSCHAFT (DE) 1984-12-05 EP disclosed