SCHEMBL7547322

SCHEMBL7547322

CC(C)CC(C(=O)NC(CCOCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=S)Nc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ REN P00797 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ MMP3 P08254 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL7539416 0.93 GAA (0.40) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL7546420 0.90 GAA (0.43) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL7567257 0.88 CTSK (0.40) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL7544773 0.88 CTSK (0.40) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL7541454 0.87 FOLH1 (0.38) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL7545845 0.87 MAPK1 (0.37) ALDH1A1MAPTSMN1; SMN2CYP2C9
SCHEMBL7541030 0.87 MMP3 (0.41) GAAALDH1A1MAPTHPGDRAB9A
SCHEMBL7539003 0.87 MAPK1 (0.38) ALDH1A1
SCHEMBL7539173 0.86 ANPEP (0.46) RAB9AKMT2AMMP3SMN1; SMN2MMP1
SCHEMBL7540893 0.86 GAA (0.40) GAAALDH1A1MAPTHPGDRAB9A

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-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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