SCHEMBL13819281

SCHEMBL13819281

COc1ccc(CC(OC(C)C)C(=O)O)cc1OCc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP15 Q460N3 1/20 0.48
▸ PARP10 Q53GL7 1/20 0.48
▸ MMP1 P03956 7/20 0.48
▸ MMP2 P08253 2/20 0.48
▸ MMP3 P08254 2/20 0.48
▸ MMP9 P14780 2/20 0.48
▸ MMP12 P39900 2/20 0.48
▸ MMP13 P45452 2/20 0.48
▸ SMPD1 P17405 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LDHA P00338 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ ATM Q13315 1/20 0.42

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
SCHEMBL13819276 0.87 MMP1 (0.50) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4341914 0.82 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819355 0.81 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819277 0.81 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819719 0.80 MMP1 (0.53) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819469 0.80 MMP1 (0.53) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819470 0.80 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819278 0.80 MMP1 (0.52) PARP15MMP1MMP2MMP3MMP9
SCHEMBL13819280 0.79 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819362 0.79 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP12

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 — — US disclosed
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