SCHEMBL7293281

SCHEMBL7293281

COC(=O)CCCCCCCCC[C]=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.43
RECQL P46063 1/20 0.42
EPHX2 P34913 4/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
MEN1 O00255 2/20 0.39
PABPC1 P11940 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
SCHEMBL8812278 1.00 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL8811910 1.00 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL7284593 1.00 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL4287025 1.00 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL8814157 1.00 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL893479 1.00 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL8811115 1.00 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL7282104 1.00 TSHR (0.58) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL893048 0.98 TSHR (0.61) TSHRLMNAALDH1A1L3MBTL1KMT2A
SCHEMBL893425 0.91

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 15 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
EP-0418696-A2 Derivatives of aminoacids MERCK PATENT GmbH (DE) 1991-03-27 EP disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed