SCHEMBL2210

SCHEMBL2210

COC(=O)N(Cc1ccc(-c2ccccc2)c(C#N)c1)[C@H](C(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.39
CTSL P07711 7/20 0.39
CTSK P43235 6/20 0.39
CTSB P07858 4/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPN1 P18031 1/20 0.37
FFAR1 O14842 1/20 0.36
AKR1B1 P15121 1/20 0.36
AAK1 Q2M2I8 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
SCHEMBL3664 0.90 FFAR1 (0.45) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL2441623 0.85 AGTR1 (0.47) CTSSCTSLFFAR1AKR1B1
SCHEMBL2651 0.81 ALDH1A1 (0.52) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL6016794 0.81 ITGB1 (0.36) CTSSCTSLCTSKCTSBFFAR1
SCHEMBL6016793 0.81 ITGB1 (0.36) CTSSCTSLCTSKCTSBFFAR1
SCHEMBL1820 0.80 FFAR1 (0.43) CTSSCTSLCTSKCTSBALDH1A1
SCHEMBL8476139 0.80 AGTR1 (0.57) ALDH1A1LMNAL3MBTL1
SCHEMBL27753418 0.80 AGTR1 (0.57) ALDH1A1LMNAL3MBTL1
SCHEMBL8476142 0.80 AGTR1 (0.57) ALDH1A1LMNAL3MBTL1
SCHEMBL2437416 0.79 CTSS (0.42) CTSSCTSLCTSKCTSBPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed