SCHEMBL7422437

SCHEMBL7422437

NCc1ccccc1NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.48
MME P08473 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.44
ACE P12821 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43

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
SCHEMBL27697067 0.86 PPARG (0.56) PPARGMMEMEN1KMT2ANPSR1
SCHEMBL7422544 0.86 ALDH1A1 (0.53) PPARGMMEMEN1KMT2ANPSR1
SCHEMBL7420136 0.86 ALDH1A1 (0.53) PPARGMMEMEN1KMT2ANPSR1
SCHEMBL7423687 0.81 PPARG (0.52) PPARGMMEALDH1A1
SCHEMBL7423684 0.81 PPARG (0.52) PPARGMMEALDH1A1
SCHEMBL346889 0.80 MME (0.51) PPARGMMENAALAD2ACE
SCHEMBL27746697 0.80 PPARG (0.51) PPARGMMEMEN1KMT2ANPSR1
SCHEMBL29131650 0.79 PPARG (0.55) PPARG
SCHEMBL3893777 0.78 L3MBTL1 (0.60) PPARGMMEMEN1KMT2ANPSR1
SCHEMBL3893774 0.78 L3MBTL1 (0.60) PPARGMMEMEN1KMT2ANPSR1

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
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO disclosed