SCHEMBL2177213

SCHEMBL2177213

CC(C)(C)N(Cc1cccc(-c2ccc(C=O)cc2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
BCHE P06276 1/20 0.46
PTGES O14684 1/20 0.44
AOC3 Q16853 10/20 0.44
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
LMNA P02545 1/20 0.42
BCL2 P10415 1/20 0.42
DRD1 P21728 1/20 0.40
ABHD6 Q9BV23 1/20 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
SCHEMBL2957633 0.85 HSD17B1 (0.51) MEN1KMT2AHTTL3MBTL1PTGES
SCHEMBL2173709 0.85 MEN1 (0.52) MEN1KMT2AHTTL3MBTL1TRIM24
SCHEMBL1749307 0.84 MEN1 (0.42) MEN1KMT2AHTTL3MBTL1BCHE
SCHEMBL942814 0.83 MEN1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL3948563 0.83 AOC3 (0.57) BCHEAOC3TRIM24TRIM33ABHD6
SCHEMBL6255368 0.82 PTGES (0.48) BCHEPTGESAOC3TRIM24TRIM33
SCHEMBL6184553 0.82 PTGES (0.52) BCHEPTGESAOC3TRIM24TRIM33
SCHEMBL2952041 0.81 HSD17B1 (0.52) MEN1KMT2AHTTL3MBTL1PTGES
SCHEMBL1362748 0.80 TRIM24 (0.41) MEN1KMT2AHTTL3MBTL1PTGES
SCHEMBL1315024 0.78 TAAR1 (0.51) BCHEAOC3DRD1

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-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed