SCHEMBL7543337

SCHEMBL7543337

CC(C)CC(C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O)c1ccc(N/C(=C\[N+](=O)[O-])Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ FOLH1 Q04609 2/20 0.39
▸ FFAR1 O14842 2/20 0.38
▸ MMP3 P08254 2/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ MME P08473 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ FFAR2 O15552 1/20 0.36
▸ GRN P28799 1/20 0.36

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
SCHEMBL7543339 1.00 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7543498 0.93 MMP3 (0.45) FOLH1MMP3MMP2MMEACE
SCHEMBL7543503 0.93 MMP3 (0.45) FOLH1MMP3MMP2MMEACE
SCHEMBL7539811 0.93 FOLH1 (0.39) MAPTALDH1A1KMT2AFOLH1FFAR1
SCHEMBL7547266 0.93 FOLH1 (0.45) MAPTFOLH1MMP3MMP2MME
SCHEMBL7547273 0.93 FOLH1 (0.45) MAPTFOLH1MMP3MMP2MME
SCHEMBL7539815 0.93 FOLH1 (0.39) MAPTALDH1A1KMT2AFOLH1FFAR1
SCHEMBL7542518 0.92 MMP1 (0.39) MAPTALDH1A1FOLH1MMP3MMP2
SCHEMBL7542526 0.92 MMP1 (0.39) MAPTALDH1A1FOLH1MMP3MMP2
SCHEMBL7547049 0.90 MMP1 (0.45) KMT2AFFAR1MMP3MMP2

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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