SCHEMBL13819276

SCHEMBL13819276

COc1ccc(CC(OC(C)C)C(=O)O)cc1OCc1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 8/20 0.50
▸ MMP2 P08253 2/20 0.50
▸ MMP3 P08254 2/20 0.50
▸ MMP9 P14780 2/20 0.50
▸ MMP12 P39900 2/20 0.50
▸ MMP13 P45452 2/20 0.50
▸ GAA P10253 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ PPARG P37231 3/20 0.47
▸ PPARD Q03181 3/20 0.47
▸ PPARA Q07869 3/20 0.47
▸ LDHA P00338 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43

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
SCHEMBL13819281 0.87 PARP15 (0.48) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819469 0.84 MMP1 (0.53) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819280 0.84 MMP1 (0.52) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819277 0.83 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819719 0.82 MMP1 (0.53) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819472 0.82 MMP1 (0.47) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819362 0.81 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819356 0.81 MMP1 (0.55) MMP1MMP2MMP3MMP9MMP12
SCHEMBL13819358 0.81 HDAC8 (0.54) MMP1MMP2MMP3MMP9MMP12
SCHEMBL4340272 0.81 MMP1 (0.44) 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
Send feedback