SCHEMBL7275086

SCHEMBL7275086

O=C(O)NC(CC1CCCCC1)C(=O)c1ccco1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.51
ALDH1A1 P00352 5/20 0.49
MMP3 P08254 5/20 0.47
MMP1 P03956 4/20 0.47
MMP2 P08253 4/20 0.47
CTSL P07711 2/20 0.47
CTSK P43235 1/20 0.47
HPGD P15428 4/20 0.47
LTA4H P09960 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL7268082 1.00 CTSS (0.51) CTSSALDH1A1MMP3MMP1MMP2
SCHEMBL8334687 0.80 CTSS (0.56) CTSSALDH1A1MMP3MMP1MMP2
SCHEMBL5528235 0.75 CTSL (0.71) CTSSALDH1A1CTSLCTSKL3MBTL1
SCHEMBL7046489 0.75 ALDH1A1 (0.56) CTSSALDH1A1CTSLSMN1; SMN2POLB
SCHEMBL12823958 0.73 CTSL (0.57) CTSSALDH1A1MMP3MMP1MMP2
SCHEMBL272046 0.73 CTSL (0.57) CTSSALDH1A1MMP3MMP1MMP2
SCHEMBL7312766 0.73 ALDH1A1 (0.50) CTSSALDH1A1MMP1MMP2HPGD
SCHEMBL7307705 0.72 ATM (0.42) CTSSALDH1A1CTSLCTSKHPGD
SCHEMBL7307699 0.72 ATM (0.42) CTSSALDH1A1CTSLCTSKHPGD
SCHEMBL5528233 0.72 CTSS (0.58) CTSSALDH1A1CTSLCTSKHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed
US-5189023-A Hypotensive agent AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed