SCHEMBL9646186

SCHEMBL9646186

CCCCCC(N)P(=O)(O)CC(C(=O)O)=C(C)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LAP3 P28838 2/20 0.42
▸ NAAA Q02083 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ DPEP1 P16444 3/20 0.34
▸ ENPP2 Q13822 3/20 0.34
▸ S1PR2 O95136 2/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ S1PR4 O95977 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
SCHEMBL10439749 1.00 LAP3 (0.42) LAP3NAAABCHEDPEP1ENPP2
SCHEMBL10439822 0.81 DPEP1 (0.50) DPEP1
SCHEMBL9646445 0.81 DPEP1 (0.50) DPEP1
SCHEMBL9646250 0.76 GRIK1 (0.47) LAP3DPEP1
SCHEMBL9646228 0.76 GRIK1 (0.47) LAP3DPEP1
SCHEMBL9647029 0.73 DPEP1 (0.44) LAP3DPEP1
SCHEMBL9647019 0.73 DPEP1 (0.44) LAP3DPEP1
SCHEMBL10961437 0.72 LAP3 (0.62) LAP3S1PR2S1PR1S1PR3S1PR4
SCHEMBL9647093 0.70 ALDH1A1 (0.47) LAP3DPEP1
SCHEMBL28712744 0.68 CES2 (0.39) NAAA

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
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