SCHEMBL4338977

SCHEMBL4338977

C#Cc1cccc(CC(OC(C)C)C(=O)OCC)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 1/20 0.36
MMP8 P22894 1/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
ACHE P22303 5/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
FFAR1 O14842 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL4332465 0.87 ACACB (0.39) ACACBL3MBTL1LMNAMMP8MAPK1
SCHEMBL4339684 0.86 ACACB (0.40) ACACBL3MBTL1LMNAMMP8MAPK1
SCHEMBL4336550 0.86 PPARG (0.43) FFAR1PPARGPPARA
SCHEMBL4333099 0.84 ACACB (0.46) ACACBFFAR1PPARGPPARA
SCHEMBL13810013 0.83 GABRA1 (0.39) ACACBL3MBTL1LMNAMAPK1TSHR
SCHEMBL4341960 0.83 ACACB (0.39) ACACBL3MBTL1LMNAMMP8MAPK1
SCHEMBL4332258 0.82 GRIA2 (0.42) L3MBTL1LMNAMMP8MAPK1TSHR
SCHEMBL4329899 0.82 MMP8 (0.39) L3MBTL1LMNAMMP8MAPK1TSHR
SCHEMBL4332255 0.82 GRIA2 (0.42) L3MBTL1LMNAMMP8MAPK1TSHR
SCHEMBL4339926 0.81 MAPK1 (0.46) L3MBTL1MAPK1TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed