SCHEMBL6696282

SCHEMBL6696282

CC1CCC(C(C)C)C(OC(=O)C(=O)Cl)C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
ALDH1A1 P00352 9/20 0.52
HPGD P15428 2/20 0.52
CYP19A1 P11511 2/20 0.51
TRPA1 O75762 2/20 0.46
TRPM8 Q7Z2W7 2/20 0.46
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 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
SCHEMBL6387314 0.91 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL16194851 0.91 EPHX1 (0.61) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL7927510 0.87 EPHX1 (0.55) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL13430523 0.87 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL4637145 0.87 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL28581609 0.87 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL8592416 0.87 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL15305973 0.87 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL6387317 0.87 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1
SCHEMBL8591880 0.87 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1TRPA1

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
US-20040254395-A1 Ozonolysis process for preparing menthyl glyoxylate hydrate COOK PHILLIP MICHAEL (US) 2004-12-16 US disclosed
EP-0850929-B1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ATOFINA CHEM INC (US) 2001-06-27 EP disclosed
US-5837782-A POLYMERIZATION CATALYST ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-17 US disclosed
EP-0850929-A1 Novel bis(mono- and diperoxy-oxalates) derived from dihydroperoxides and alkyl and alkylperoxy halooxalates ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-07-01 EP disclosed
US-5489705-A REACTING GLYOXYLIC ACID WITH MENTHOL FOLLOWED BY SODIUM METABISULFITE SOCIETE FRANCAISE HOECHST (FR) 1996-02-06 US disclosed
US-5442094-A Prepared by reacting aqueous solution of glyoxylic acid with menthol under acidic conditions, eliminating water by azeotropic distillation with hydrocarbon, treating with sulfurous acid derivative SOCIETE FRANCAISE HOECHST (FR) 1995-08-15 US disclosed
US-4407810-A TREATMENT OF ALLERGIC DISORDERS BASF AKTIENGESELLSCHAFT (DE) 1983-10-04 US disclosed