SCHEMBL172563

SCHEMBL172563

COC(=O)c1cccc(N2C(=O)CN(c3ccc(C(C)(C)C)cc3)C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.53
CMA1 P23946 2/20 0.53
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
HIF1A Q16665 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.41

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
SCHEMBL132752 0.87 KMT2A (0.51) CTSGCMA1GAAPPARDPPARA
SCHEMBL135269 0.85 GAA (0.53) CTSGCMA1GAATSHRPPARD
SCHEMBL129490 0.85 CMA1 (0.54) CTSGCMA1GAATSHRALDH1A1
SCHEMBL133340 0.81 GAA (0.50) CTSGCMA1GAATSHRALDH1A1
SCHEMBL1932116 0.77 PPARD (0.54) CTSGCMA1GAAPPARDPPARA
SCHEMBL3552039 0.75 CA1 (0.50) CTSGCMA1GAAALDH1A1LMNA
SCHEMBL133701 0.74 KMT2A (0.53) CTSGCMA1GAAALDH1A1HPGD
SCHEMBL12798455 0.74 PPARD (0.48) CTSGCMA1GAAPPARDPPARA
SCHEMBL3555407 0.74 CTSG (0.44) CTSGCMA1GAAALDH1A1HPGD
SCHEMBL134036 0.74 MRGPRX4 (0.48) CTSGCMA1GAAPPARDPPARA

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-1542667-B1 UREIDO SUBSTITUTED BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PTC THERAPEUTICS INC (US) 2012-03-07 EP disclosed