SCHEMBL7539416

SCHEMBL7539416

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ FPR2 P25090 3/20 0.37
▸ REN P00797 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PYGL P06737 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ MMP3 P08254 3/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ MMP9 P14780 2/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ DGAT1 O75907 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
SCHEMBL7545845 0.94 MAPK1 (0.37) MAPTFPR2MAPK1PYGLCYP2C9
SCHEMBL7541454 0.94 FOLH1 (0.38) GAAMAPTHPGDRAB9ATP53
SCHEMBL7547322 0.93 GAA (0.42) GAAMAPTHPGDRAB9ATP53
SCHEMBL7539003 0.93 MAPK1 (0.38) FPR2MAPK1ANPEPALDH1A1
SCHEMBL7539173 0.93 ANPEP (0.46) RAB9AFPR2MMP3MMP2ANPEP
SCHEMBL7539437 0.90 MEN1 (0.41) GAAMAPTRAB9AFPR2MAPK1
SCHEMBL7544773 0.90 CTSK (0.40) GAAMAPTHPGDRAB9AREN
SCHEMBL7567257 0.90 CTSK (0.40) GAAMAPTHPGDRAB9AREN
SCHEMBL7544683 0.89 MAPT (0.45) GAAMAPTHPGDRAB9ATP53
SCHEMBL7542140 0.86 ITGB1 (0.44) RENMMP3MMP2ANPEPMMP1

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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