SCHEMBL1150124

SCHEMBL1150124

CC1(C)[C@@H](C=O)[C@@H]1C(=O)OC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
CYP2C19 P33261 1/20 0.37
NAAA Q02083 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.35
CYP19A1 P11511 2/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL1150119 1.00 EPHX1 (0.39) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1150121 1.00 EPHX1 (0.39) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL4989860 0.87 EPHX1 (0.37) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL4989852 0.87 EPHX1 (0.37) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL299035 0.85 LMNA (0.54) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL22931823 0.85 HPGD (0.46) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL295097 0.85 HPGD (0.46) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1072702 0.85 LMNA (0.40) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1073546 0.85 LMNA (0.40) EPHX1CYP2C19NAAALMNAHTT
SCHEMBL1072707 0.85 LMNA (0.40) EPHX1CYP2C19NAAALMNAHTT

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
US-7893294-B2 Process for production of trans-2, 2-dimethyl-3-formylcyclopropanecarboxylic acid ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-22 US disclosed
US-20090314987-A1 PROCESS FOR PRODUCTION OF TRANS-2, 2-DIMETHYL-3-FORMYLCYCLOPROPANECARBOXYLIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-12-24 US disclosed
EP-2053037-A1 PROCESS FOR PRODUCTION OF TRANS-2,2-DIMETHYL- 3-FORMYLCYCLOPROPANE CARBOXYLIC ACID ESTER Sumitomo Chemical Company, Limited (JP) 2009-04-29 EP disclosed