SCHEMBL7539878

SCHEMBL7539878

CC(C)CC(NC(=O)Cc1ccc(NC(=C[N+](=O)[O-])Nc2ccc(Cl)cc2)cc1)C(=O)NC(CC=CCC(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
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HTT P42858 3/20 0.38
▸ ITGB1 P05556 1/20 0.35
▸ ITGA4 P13612 1/20 0.35
▸ CTSL P07711 3/20 0.35
▸ CTSB P07858 2/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ CTSK P43235 1/20 0.34
▸ PSMB11 A5LHX3 1/20 0.34
▸ PSMA7 O14818 1/20 0.34
▸ PSMB1 P20618 1/20 0.34
▸ PSMA1 P25786 1/20 0.34
▸ PSMA2 P25787 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
SCHEMBL7539871 1.00 GRN (0.39) GRNSORT1KMT2AALDH1A1MAPT
SCHEMBL7543387 0.94 MMP2 (0.40) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL7543392 0.94 MMP2 (0.40) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL7539472 0.93 MMP2 (0.38) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL7540417 0.93 CTSL (0.37) MAPTITGB1ITGA4CTSLCTSB
SCHEMBL7539469 0.93 MMP2 (0.38) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL7540421 0.93 CTSL (0.37) MAPTITGB1ITGA4CTSLCTSB
SCHEMBL7542594 0.92 GRN (0.39) GRNSORT1KMT2AALDH1A1MAPT
SCHEMBL7542586 0.92 GRN (0.39) GRNSORT1KMT2AALDH1A1MAPT
SCHEMBL7540036 0.92 MEN1 (0.39) KMT2AALDH1A1MAPTMEN1LMNA

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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