SCHEMBL7360069

SCHEMBL7360069

CC(C)(C)N(C(=O)O)C(CC1CCCCC1)C1CC(Cc2ccccc2)C(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
HSD11B1 P28845 1/20 0.35
USP19 O94966 4/20 0.35
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CNR2 P34972 1/20 0.34
CACNA1G O43497 1/20 0.34
MMP1 P03956 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MMP13 P45452 1/20 0.33
NPY5R Q15761 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL7364108 0.86 CTSK (0.33) ATMCTSLCTSBCTSSCTSK
SCHEMBL7364034 0.82 CTSS (0.30) CTSS
SCHEMBL7363475 0.82 CTSS (0.30) CTSS
SCHEMBL2436515 0.80 MEN1 (0.39) MMP1ALDH1A1MMP13
SCHEMBL9817901 0.76 CACNA1G (0.39) ATMHSD11B1CTSLCTSBCTSS
SCHEMBL9876609 0.76 REN (0.44) CTSSCTSK
SCHEMBL2436776 0.75 UGT1A1 (0.39)
SCHEMBL2438073 0.75 UGT1A1 (0.39)
SCHEMBL7360310 0.74 CTSK (0.35) ATMCTSLCTSBCTSSCTSK
SCHEMBL969953 0.73 CTSK (0.36) ATMCTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270234-A2 Renin inhibitors PFIZER INC. (US) 1988-06-08 EP disclosed
WO-1988003022-A1 RELATIVELY LOW MOLECULAR WEIGHT POLYPEPTIDES AS RENIN INHIBITORS PFIZER INC. (US) 1988-05-05 WO disclosed