SCHEMBL7542586

SCHEMBL7542586

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.39
▸ SORT1 Q99523 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MMP2 P08253 2/20 0.36
▸ ITGB1 P05556 2/20 0.35
▸ ITGA4 P13612 2/20 0.35
▸ CTSL P07711 4/20 0.35
▸ FOLH1 Q04609 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ CTSB P07858 3/20 0.34
▸ PSMB11 A5LHX3 1/20 0.34
▸ PSMA7 O14818 1/20 0.34
▸ PSMB1 P20618 1/20 0.34

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
SCHEMBL7542594 1.00 GRN (0.39) GRNSORT1ALDH1A1KMT2AMAPT
SCHEMBL7544853 0.94 MMP2 (0.42) MAPTMMP2ITGB1ITGA4CTSL
SCHEMBL7544848 0.94 MMP2 (0.42) MAPTMMP2ITGB1ITGA4CTSL
SCHEMBL7538394 0.93 NPY4R (0.40) MAPTMMP2ITGB1ITGA4CTSL
SCHEMBL7538619 0.93 MMP2 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL7538623 0.93 MMP2 (0.40) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL7538390 0.93 NPY4R (0.40) MAPTMMP2ITGB1ITGA4CTSL
SCHEMBL7539871 0.92 GRN (0.39) GRNSORT1ALDH1A1KMT2AMAPT
SCHEMBL7539878 0.92 GRN (0.39) GRNSORT1ALDH1A1KMT2AMAPT
SCHEMBL7544791 0.92 MEN1 (0.39) ALDH1A1KMT2AMAPTMEN1HTT

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
Send feedback