SCHEMBL7466890

SCHEMBL7466890

CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1)C(=O)NC[C@@H](C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.47
CTSL P07711 3/20 0.47
CTSK P43235 2/20 0.47
NPC1 O15118 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
EGFR P00533 2/20 0.45
PIK3CA P42336 2/20 0.45
RAB9A P51151 3/20 0.43
KMT2A Q03164 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
PTGFR P43088 2/20 0.41
CTNNB1 P35222 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7462325 1.00 CTSS (0.47) CTSSCTSLCTSKNPC1MAPT
SCHEMBL7466885 0.87 CTNNB1 (0.47) CTSSCTSLCTSKNPC1MAPT
SCHEMBL7472944 0.87 ALDH1A1 (0.43) NPC1MAPTRAB9AKMT2APTGFR
SCHEMBL7472858 0.87 ALDH1A1 (0.43) NPC1MAPTRAB9AKMT2APTGFR
SCHEMBL7462101 0.85 MMP2 (0.47) NPC1MAPTRAB9AKMT2APTGFR
SCHEMBL7466668 0.85 MMP2 (0.47) NPC1MAPTRAB9AKMT2APTGFR
SCHEMBL7461667 0.84 ALDH1A1 (0.49) NPC1MAPTRAB9AKMT2APTGFR
SCHEMBL7463409 0.83 PTGFR (0.44) NPC1MAPTKDM4ERAB9AKMT2A
SCHEMBL7462284 0.82 ALDH1A1 (0.46) MAPTRAB9AKMT2APTGFRLMNA
SCHEMBL7469939 0.82 ALDH1A1 (0.46) MAPTRAB9AKMT2APTGFRLMNA

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
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed