SCHEMBL7545943

SCHEMBL7545943

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.48
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MYOC Q99972 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ FCER2 P06734 1/20 0.41
▸ MMP3 P08254 3/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ ACE P12821 2/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ MME P08473 1/20 0.40
▸ CPA1 P15085 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ FPR1 P21462 2/20 0.40
▸ FPR2 P25090 2/20 0.40

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
SCHEMBL7542518 0.91 MMP1 (0.39) FOLH1MAPTCA2MMP1FCER2
SCHEMBL7542526 0.91 MMP1 (0.39) FOLH1MAPTCA2MMP1FCER2
SCHEMBL7538785 0.89 FOLH1 (0.54) FOLH1MAPTMMP3MMP2ACE
SCHEMBL7541870 0.89 FOLH1 (0.54) FOLH1MAPTMMP3MMP2ACE
SCHEMBL7543615 0.89 ACE (0.40) FOLH1MAPTCA2MMP1FCER2
SCHEMBL7547257 0.88 FOLH1 (0.55) FOLH1MAPTMMP3MMP2ACE
SCHEMBL7546158 0.88 FOLH1 (0.53) FOLH1MAPTMMP3MMP2ACE
SCHEMBL7547307 0.87 FOLH1 (0.52) FOLH1MAPTMMP3MMP2ACE
SCHEMBL7546261 0.86 MEN1 (0.48) FOLH1MAPTMEN1KMT2AMMP3
SCHEMBL7544917 0.85 FPR2 (0.56) FOLH1MEN1KMT2AMMP1MMP3

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