SCHEMBL8696245

SCHEMBL8696245

C[C@@H](C(=O)N[C@@H](CCc1ccccc1)CCS(=O)(=O)c1ccc2ccccc2c1)N(C(=O)N1CCOCC1)c1ccc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
CTSB P07858 7/20 0.42
CAPN1 P07384 2/20 0.42
CTSS P25774 6/20 0.41
CTSL P07711 4/20 0.41
CTSK P43235 2/20 0.40
CTSH P09668 1/20 0.40
CTSC P53634 1/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.38
PIN1 Q13526 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
SCHEMBL8696240 1.00 MMP2 (0.42) MMP2MMP13CTSBCAPN1CTSS
SCHEMBL8696250 1.00 MMP2 (0.42) MMP2MMP13CTSBCAPN1CTSS
SCHEMBL7413210 0.84 CTSL (0.57) MMP2MMP13CTSBCTSSCTSL
SCHEMBL7362208 0.84 CTSL (0.57) MMP2MMP13CTSBCTSSCTSL
SCHEMBL7362205 0.84 CTSL (0.57) MMP2MMP13CTSBCTSSCTSL
SCHEMBL7358323 0.81 CTSL (0.62) CTSBCTSSCTSLCTSKCTSH
SCHEMBL7358322 0.81 CTSL (0.62) CTSBCTSSCTSLCTSKCTSH
SCHEMBL7358325 0.81 CTSL (0.62) CTSBCTSSCTSLCTSKCTSH
SCHEMBL7546891 0.81 CTSS (0.60) CTSBCTSSCTSLCTSCALDH1A1
SCHEMBL8690335 0.80 CTSS (0.46) CTSBCTSSCTSLCTSKCTSH

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