SCHEMBL7544683

SCHEMBL7544683

CC(C)CC(C(=O)NC(CCCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ FOLH1 Q04609 1/20 0.41
▸ MMP3 P08254 4/20 0.41
▸ MMP9 P14780 3/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ FPR2 P25090 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ REN P00797 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL7542028 0.93 FOLH1 (0.42) MAPTGAAHPGDRAB9AFOLH1
SCHEMBL7542294 0.93 MAPK1 (0.41) MAPTGAAHPGDRAB9AFPR2
SCHEMBL7546420 0.93 GAA (0.43) MAPTGAAHPGDRAB9AMMP3
SCHEMBL7539530 0.93 FOLH1 (0.45) MAPTFOLH1FPR2MAPK1ALDH1A1
SCHEMBL7539439 0.91 ANPEP (0.50) RAB9AMMP3MMP1FPR2MMP2
SCHEMBL7541941 0.90 GAA (0.41) MAPTGAAHPGDRAB9AMMP3
SCHEMBL7546445 0.90 GAA (0.44) MAPTGAAHPGDRAB9AMMP3
SCHEMBL7541908 0.89 MEN1 (0.44) MAPTGAAFPR2MAPK1ALDH1A1
SCHEMBL7539416 0.89 GAA (0.40) MAPTGAAHPGDRAB9AMMP3
SCHEMBL7544141 0.89 GAA (0.40) MAPTGAAHPGDRAB9AMMP3

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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