SCHEMBL9647019

SCHEMBL9647019

CCCCCC(N)P(=O)(O)C/C(=C\CC1CCCC1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPEP1 P16444 10/20 0.44
LAP3 P28838 2/20 0.41
METAP1 P53582 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIK1 P39086 1/20 0.33

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
SCHEMBL9647029 1.00 DPEP1 (0.44) DPEP1LAP3METAP1ALDH1A1KMT2A
SCHEMBL9646250 0.82 GRIK1 (0.47) DPEP1LAP3ALDH1A1GRIK1
SCHEMBL9646228 0.82 GRIK1 (0.47) DPEP1LAP3ALDH1A1GRIK1
SCHEMBL9646018 0.82 DPEP1 (0.63) DPEP1METAP1GRIK1
SCHEMBL9647109 0.82 DPEP1 (0.63) DPEP1METAP1GRIK1
SCHEMBL9645166 0.82 DPEP1 (0.63) DPEP1METAP1GRIK1
SCHEMBL9646476 0.81 LAP3 (0.49) LAP3GRIK1
SCHEMBL9646542 0.81 LAP3 (0.49) LAP3GRIK1
SCHEMBL9645188 0.81 DPEP1 (0.56) DPEP1METAP1ALDH1A1KMT2AGRIK1
SCHEMBL9647037 0.81 DPEP1 (0.56) DPEP1METAP1ALDH1A1KMT2AGRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366469-A2 Phosphorus containing enzyme inhibitors MERCK & CO. INC. (US) 1990-05-02 EP claimed
US-5147867-A Bactericides, (carba)penicillins MERCK & CO., INC. (US) 1992-09-15 US disclosed
US-5145990-A Dehydropeptidase, carbapenicillin potentiation MERCK & CO., INC. (US) 1992-09-08 US disclosed
US-4962097-A IN COMBINATION WITH A CARBAPENEM OR PENEM ANTIBIOTIC MERCK & CO., INC. (US) 1990-10-09 US disclosed
EP-0366469-A2 Phosphorus containing enzyme inhibitors MERCK & CO. INC. (US) 1990-05-02 EP disclosed