SCHEMBL8690667

SCHEMBL8690667

CCOC(=O)C(CCCCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.58
KLKB1 P03952 3/20 0.56
ANPEP P15144 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
PSMB5 P28074 3/20 0.54
PPID Q08752 1/20 0.49
PSMB1 P20618 2/20 0.48
PSMB2 P49721 2/20 0.48
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP1 P03956 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL2563776 0.84 ATM (0.80) ATMKLKB1ANPEPL3MBTL1PSMB5
SCHEMBL8690683 0.79 CTSL (0.64) PSMB5PSMB1PSMB2POLB
SCHEMBL12149993 0.75 POLB (0.63) ATML3MBTL1TSHRPOLBALDH1A1
SCHEMBL11758374 0.75 TACR1 (0.64) ALDH1A1
SCHEMBL11759813 0.75 TACR1 (0.64) ALDH1A1
SCHEMBL10493865 0.74 ATM (1.00) ATMANPEPL3MBTL1PSMB5TSHR
SCHEMBL2561481 0.74 ATM (1.00) ATMANPEPL3MBTL1PSMB5TSHR
SCHEMBL27487292 0.74 ALDH1A1 (0.56) ATMPOLBALDH1A1
SCHEMBL27487291 0.74 ALDH1A1 (0.56) ATMPOLBALDH1A1
SCHEMBL9508615 0.73 POLB (0.66) ATMKLKB1ANPEPL3MBTL1PSMB5

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-5776718-A Reversible protease inhibitors ARRIS PHARMACEUTICAL CORPORATION (US) 1998-07-07 US disclosed