SCHEMBL7472858

SCHEMBL7472858

CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)c2ccc[nH]2)cc1)C(=O)NC[C@@H](C(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGFR P43088 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BACE1 P56817 1/20 0.39
CTSD P07339 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 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
SCHEMBL7472944 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNAL3MBTL1PTGFR
SCHEMBL7462325 0.87 CTSS (0.47) ALDH1A1MAPTLMNAL3MBTL1PTGFR
SCHEMBL7466890 0.87 CTSS (0.47) ALDH1A1MAPTLMNAL3MBTL1PTGFR
SCHEMBL7461667 0.85 ALDH1A1 (0.49) ALDH1A1MAPTLMNAL3MBTL1PTGFR
SCHEMBL7462101 0.85 MMP2 (0.47) ALDH1A1MAPTLMNAL3MBTL1PTGFR
SCHEMBL7466668 0.85 MMP2 (0.47) ALDH1A1MAPTLMNAL3MBTL1PTGFR
SCHEMBL7462284 0.83 ALDH1A1 (0.46) ALDH1A1MAPTLMNAL3MBTL1PTGFR
SCHEMBL7469939 0.83 ALDH1A1 (0.46) ALDH1A1MAPTLMNAL3MBTL1PTGFR
SCHEMBL7219807 0.83 ITGB1 (0.54) RAB9ANPC1ITGB1ITGA4
SCHEMBL7462016 0.83 KMT2A (0.49) ALDH1A1MAPTLMNAL3MBTL1MEN1

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