SCHEMBL6947459

SCHEMBL6947459

COC(Cc1ccc(CCCn2c(=O)c3ccccc3n(C)c2=O)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.52
HDAC1 Q13547 5/20 0.45
ADORA3 P0DMS8 1/20 0.44
ADORA2B P29275 1/20 0.44
PPARG P37231 5/20 0.44
PPARA Q07869 5/20 0.44
PPARD Q03181 4/20 0.44
HDAC6 Q9UBN7 4/20 0.43
MAPT P10636 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 3/20 0.42
HDAC11 Q96DB2 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MELK Q14680 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
SCHEMBL6945353 0.91 TNF (0.51) TNFHDAC1ADORA3ADORA2BHDAC6
SCHEMBL6952964 0.87 TNF (0.53) TNFHDAC1ADORA3ADORA2BPPARG
SCHEMBL7530431 0.85 PPARG (0.51) PPARGPPARAPPARD
SCHEMBL6754497 0.78 PPARG (0.47) HDAC1PPARGPPARAPPARDHDAC6
SCHEMBL7533389 0.78 PPARG (0.62) PPARGPPARAPPARDHDAC6HDAC2
SCHEMBL6956426 0.76 PPARG (0.59) TNFPPARGPPARAPPARD
SCHEMBL6752369 0.75 PPARG (0.46) PPARGPPARAPPARD
SCHEMBL7852911 0.75 PPARA (0.72) PPARGPPARAPPARD
SCHEMBL7532542 0.75 PPARA (0.72) PPARGPPARAPPARD
SCHEMBL7535616 0.74 PPARA (0.66) PPARGPPARAPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed