SCHEMBL7374347

SCHEMBL7374347

CCOS(=O)(=O)CCCC=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
HIF1A Q16665 1/20 0.38
TRPV1 Q8NER1 2/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
FAAH O00519 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7293291 0.94 TSHR (0.43) TSHRHIF1ATRPV1MAPTCA1
SCHEMBL7383802 0.92 TSHR (0.46) TSHRHIF1ATRPV1MAPTCA1
SCHEMBL7283890 0.92 TSHR (0.46) TSHRHIF1ATRPV1MAPTCA1
SCHEMBL7382917 0.92 TSHR (0.46) TSHRHIF1ATRPV1MAPTCA1
SCHEMBL7384361 0.92 TSHR (0.46) TSHRHIF1ATRPV1MAPTCA1
SCHEMBL7285374 0.92 TSHR (0.46) TSHRHIF1ATRPV1MAPTCA1
SCHEMBL4812119 0.86 CA1 (0.39) TSHRTRPV1MAPTCA1CA2
SCHEMBL29104747 0.81 CA2 (0.46) TSHRCA1CA2FAAHALDH1A1
SCHEMBL778055 0.81 CA1 (0.46) TSHRCA1CA2ALDH1A1
SCHEMBL16038351 0.79 CA2 (0.43) TSHRCA1CA2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 US disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0499080-A2 Aminoacid derivatibes MERCK PATENT GmbH (DE) 1992-08-19 EP disclosed
EP-0481311-A2 Aminoacid derivatives MERCK PATENT GmbH (DE) 1992-04-22 EP disclosed
EP-0474008-A1 Amino acid derivatives MERCK PATENT GmbH (DE) 1992-03-11 EP disclosed
EP-0464517-A2 Amino acid derivatives with renin inhibiting activity MERCK PATENT GmbH (DE) 1992-01-08 EP disclosed
EP-0456039-A2 Renin inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1991-11-13 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed