SCHEMBL7985187

SCHEMBL7985187

CN(C)C(=O)c1ccccc1N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 19/20 0.57
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
EGFR P00533 1/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRB3 P13945 1/20 0.48
TSHR P16473 1/20 0.48
ADRA2B P18089 1/20 0.48
NFKB1 P19838 1/20 0.48
TACR2 P21452 1/20 0.48
SLC6A2 P23975 1/20 0.48
TBXAS1 P24557 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL27277369 0.84 PPARG (0.59) PPARGPPARA
SCHEMBL7381222 0.84 PPARG (0.60) PPARGPPARA
SCHEMBL7415561 0.82 PPARG (0.58) PPARGMAPTKMT2APPARA
SCHEMBL2721340 0.82 PPARG (0.58) PPARGMAPTKMT2APPARA
SCHEMBL7383418 0.82 PPARG (0.58) PPARG
SCHEMBL9751930 0.80 PPARG (0.79) PPARGPPARA
SCHEMBL29131650 0.79 PPARG (0.55) PPARGPPARA
SCHEMBL3893774 0.78 L3MBTL1 (0.60) PPARGMEN1KMT2A
SCHEMBL3893777 0.78 L3MBTL1 (0.60) PPARGMEN1KMT2A
SCHEMBL28440258 0.78 PPARG (0.54) PPARGPPARA

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
US-6291511-B1 Biarylalkanoic acids as cell adhesion inhibitors MERCK & CO., INC. 2001-09-18 US disclosed