SCHEMBL6678682

SCHEMBL6678682

CC(=O)OC1C=CC(=O)C1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CA2 P00918 3/20 0.32
CA1 P00915 2/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
ALOX5 P09917 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NLRP3 Q96P20 1/20 0.30
NSD2 O96028 1/20 0.30
HK1 P19367 1/20 0.30
HKDC1 Q2TB90 1/20 0.30
PPARG P37231 2/20 0.30
PPARD Q03181 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PPARA Q07869 1/20 0.30

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
Methyl Alcohol SCHEMBL6679682 0.98 POLB (0.39) POLBCA2CA1CA12CA9
SCHEMBL23593366 0.80 POLB (0.34) POLBCA2CA1CA12CA9
SCHEMBL10714782 0.80 POLB (0.34) POLBCA2CA1CA12CA9
SCHEMBL6676309 0.76 MIF (0.33)
SCHEMBL6680654 0.76 ALDH1A1 (0.41) CYP2C19PPARGPPARDPPARA
SCHEMBL10830934 0.76 PPARG (0.39) POLBCA2CA1CYP3A4CYP2C19
SCHEMBL10830352 0.76 CA1 (0.33) POLBCA2CA1ALOX5PPARG
SCHEMBL10831038 0.73 PPARG (0.46) POLBCYP3A4CYP2C19PPARGPPARD
SCHEMBL6679387 0.73 NLRP3 (0.38) CYP2C19NLRP3PPARGPPARDPPARA
SCHEMBL10929223 0.72 SLC18A3 (0.39) POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112742-B1 REMEDIES OR PREVENTIVES CONTAINING CYCLOPENTENONE COMPOUNDS AS THE ACTIVE INGREDIENT TAKARA BIO INC (JP) 2004-11-03 EP claimed
EP-1112742-B1 REMEDIES OR PREVENTIVES CONTAINING CYCLOPENTENONE COMPOUNDS AS THE ACTIVE INGREDIENT TAKARA BIO INC (JP) 2004-11-03 EP disclosed
EP-0976717-B1 CYCLOPENTENONE DERIVATIVES TAKARA SHUZO CO (JP) 2002-11-20 EP disclosed