SCHEMBL4611082

SCHEMBL4611082

CCC(=O)OC1C=CC(OC(=O)CC)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
ALDH1A1 P00352 2/20 0.32
HIF1A Q16665 2/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
BCHE P06276 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NAAA Q02083 1/20 0.30
CYP19A1 P11511 2/20 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
SCHEMBL4544318 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL12157105 1.00 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL4611885 0.88 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL10775509 0.83 ALDH1A1 (0.44) ALDH1A1LMNAKMT2ASMN1; SMN2NAAA
SCHEMBL7224503 0.80
SCHEMBL21765880 0.79 CHRM2 (0.32) CHRM2CHRM4CHRM1CHRM3
SCHEMBL7800124 0.79
SCHEMBL7064509 0.78 NPSR1 (0.32)
SCHEMBL4546329 0.77 TRPA1 (0.34) ALDH1A1CYP2C19
SCHEMBL12157103 0.77 TRPA1 (0.34) ALDH1A1CYP2C19

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-1428888-B1 Method for the production of (1S,4R)-(-)-4-Hydroxycyclopent-2-enyl esters ARCHIMICA GMBH (DE) 2008-10-22 EP disclosed
US-20040126855-A1 Method for the production of (1S, 4R)-(-)-4-hydroxy cyclopent-2-enyl esters CLARIANT GMBH 2004-07-01 US disclosed
EP-1428888-A1 Method for the production of (1S,4R)-(-)-4-Hydroxycyclopent-2-enyl esters Clariant GmbH (DE) 2004-06-16 EP disclosed