SCHEMBL27353143

SCHEMBL27353143

CC(C)(C)OC(=O)C(CC1CCCCC1)C(OCc1ccccc1)C(N)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.44
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
HTRA1 Q92743 1/20 0.39
LTA4H P09960 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL9770958 0.80 REN (0.43) RENMETAP2METAP1CTSLCTSB
SCHEMBL9831712 0.79 REN (0.42) RENMETAP2METAP1CTSLCTSB
SCHEMBL7037201 0.78 REN (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL7037199 0.78 REN (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL15619034 0.77 CYP3A4 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL15619033 0.77 CYP3A4 (0.44) RENCTSLCTSBCTSSCTSK
SCHEMBL8759874 0.75 METAP2 (0.47) METAP2METAP1CTSLCTSBCTSS
SCHEMBL10521193 0.74 CTSL (0.49) RENMETAP2METAP1CTSLCTSB
SCHEMBL9515866 0.74 REN (0.53) RENCTSL
SCHEMBL9515874 0.74 REN (0.53) RENCTSL

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
CN-1027271-C Preparation method of n-statinib and n-cyclostatini polypeptide PFICER CO LTD (US) 1995-01-04 CN disclosed
CN-87101499-A Preparation method of n-statinib and n-cyclostatini polypeptide 1988-05-11 CN disclosed