SCHEMBL4006610

SCHEMBL4006610

CC(=O)OC1=CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PREP P48147 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
PIM1 P11309 1/20 0.30
BACE1 P56817 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
SCHEMBL16714050 0.88 GSTP1 (0.41) GLALMNAALDH1A1ESR1PGR
SCHEMBL7179832 0.87 GLA (0.30) GLALMNA
SCHEMBL616033 0.86 GSTP1 (0.42) GLAALDH1A1ESR1PGRCHRM2
SCHEMBL9815308 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11545012 0.73
SCHEMBL2533106 0.73 LMNA (0.38) GLALMNAALDH1A1ESR1PGR
SCHEMBL25113 0.73
SCHEMBL11929861 0.72 LMNA (0.39) GLALMNAALDH1A1ESR1PGR
Methyl Alcohol SCHEMBL11662062 0.71 LMNA (0.37) GLALMNAALDH1A1ESR1PGR
Formaldehyde SCHEMBL18112525 0.70 LMNA (0.35) GLALMNAALDH1A1ESR1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63049099-A None JP disclosed
WO-2009076397-A2 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-18 WO disclosed
EP-0272202-B1 Process for the preparation of optically active bicyclo[3.3.0]octanedione-carboxylic-acid esters SCHERING AKTIENGESELLSCHAFT (DE) 1992-07-01 EP disclosed
US-5093250-A Process for producing optically active bicyclo[3.3.0]octanedione carboxylic acid esters SCHERING AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
EP-0272202-A1 Process for the preparation of optically active bicyclo[3.3.0]octanedione-carboxylic-acid esters SCHERING AKTIENGESELLSCHAFT (DE) 1988-06-22 EP disclosed
WO-1988003569-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BICYCLO[3.3.0]OCTANDIONE CARBOXYLIC ACID ESTERS SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-19 WO disclosed
JP-S6349099-A PRODUCTION OF OPTICALLY ACTIVE 3-CHLORO-4-HYDROXY-2-CYCLOPENTENONE FUJI YAKUHIN KOGYO KK 1988-03-01 JP disclosed