SCHEMBL7368895

SCHEMBL7368895

CSc1ccc([C@H](C)N[C@@H](CC(C)C)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.58
CTSK P43235 2/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
ACACB O00763 1/20 0.47
FOLH1 Q04609 1/20 0.45
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41

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
SCHEMBL18722285 0.84 MMP9 (0.55) CTSKGRNSORT1MMP9MMP8
SCHEMBL17530042 0.84 MMP9 (0.55) CTSKGRNSORT1MMP9MMP8
SCHEMBL17530041 0.84 MMP9 (0.55) CTSKGRNSORT1MMP9MMP8
SCHEMBL20853655 0.76 FPR2 (0.66) FPR2CTSKCTSLCTSBCTSS
SCHEMBL1410991 0.75 HDAC1 (0.49) CTSKALDH1A1MMP9MMP8MMP14
SCHEMBL19712560 0.75 LMNA (0.48) CTSKALDH1A1LMNA
SCHEMBL1414854 0.75 LMNA (0.48) CTSKALDH1A1LMNA
SCHEMBL1410988 0.75 HDAC1 (0.49) CTSKALDH1A1MMP9MMP8MMP14
SCHEMBL1411215 0.75 LMNA (0.48) CTSKALDH1A1LMNA
SCHEMBL1411220 0.75 LMNA (0.48) CTSKALDH1A1LMNA

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
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed