SCHEMBL8037879

SCHEMBL8037879

CC(=O)Cc1ccc(OC(C)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.54
MAPT P10636 3/20 0.52
PKM P14618 1/20 0.52
ELANE P08246 2/20 0.50
HSD17B10 Q99714 1/20 0.48
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
CHRM2 P08172 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
AR P10275 1/20 0.47
CHRM1 P11229 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HSP90AA1 P07900 1/20 0.47
GLS O94925 1/20 0.47
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL384743 0.86 GAA (0.57) POLBLMNAGAAMAPTPKM
SCHEMBL11489461 0.84 GAA (0.55) POLBLMNAGAAMAPTPKM
SCHEMBL10568442 0.84 LMNA (0.59) POLBLMNAGAAMAPTPKM
SCHEMBL11531056 0.84 LMNA (0.53) POLBLMNAGAAMAPTPKM
SCHEMBL1849340 0.84 LMNA (0.53) POLBLMNAGAAMAPTPKM
SCHEMBL18219806 0.84 HTT (0.47) POLBLMNAGAAMAPTPKM
SCHEMBL13666968 0.84 TSHR (0.47) POLBLMNAGAAMAPTPKM
SCHEMBL10774498 0.83 POLB (0.66) POLBLMNAGAAMAPTALDH1A1
SCHEMBL777803 0.83 ELANE (0.62) POLBLMNAGAAMAPTPKM
SCHEMBL9081470 0.83 LMNA (0.61) POLBLMNAGAAMAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548774-B1 Process for producing a lactone or an ester SUMITOMO CHEMICAL CO (JP) 2000-03-15 EP disclosed
EP-0914318-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1999-05-12 EP disclosed
WO-1997043267-A1 PYRAZINES KINGS COLLEGE LONDON (GB) 1997-11-20 WO disclosed
US-5405974-A Reacting a ketone, oxygen, an aromatic aldehyde using an aromatic solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0548774-A1 Process for producing a lactone or an ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed
US-4530842-A Containing a cyano substitution in position 3 SANDOZ LTD. (CH) 1985-07-23 US disclosed