SCHEMBL7540038

SCHEMBL7540038

CC(C)CC(NC(=O)Cc1ccc(N/C(=C/[N+](=O)[O-])Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(CNCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ACE P12821 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ ITGB1 P05556 2/20 0.34
▸ ITGA4 P13612 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ RORC P51449 1/20 0.33

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
SCHEMBL7540048 1.00 CTSL (0.37) CTSLMEN1KMT2AACEALDH1A1
SCHEMBL7541935 1.00 CTSL (0.37) CTSLMEN1KMT2AACEALDH1A1
SCHEMBL7542670 0.94 MMP2 (0.39) CTSLMMP2ITGB1ITGA4ADRB2
SCHEMBL7541125 0.94 MMP2 (0.39) CTSLMMP2ITGB1ITGA4ADRB2
SCHEMBL7541133 0.94 MMP2 (0.39) CTSLMMP2ITGB1ITGA4ADRB2
SCHEMBL7542683 0.94 MMP2 (0.39) CTSLMMP2ITGB1ITGA4ADRB2
SCHEMBL7544874 0.94 CTSL (0.34) CTSLMMP2ITGB1ITGA4ADRB2
SCHEMBL7541724 0.94 MMP2 (0.37) CTSLMEN1KMT2AALDH1A1LMNA
SCHEMBL7544877 0.94 CTSL (0.34) CTSLMMP2ITGB1ITGA4ADRB2
SCHEMBL7539234 0.94 CTSL (0.34) CTSLMMP2ITGB1ITGA4ADRB2

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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