SCHEMBL1150187

SCHEMBL1150187

CCCCCOC(=O)C1C(COC(C)=O)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TSHR P16473 3/20 0.40
NAAA Q02083 1/20 0.40
EPHX1 P07099 1/20 0.38
LMNA P02545 1/20 0.36
PPARG P37231 3/20 0.36
PRKCA P17252 2/20 0.36
HCAR2 Q8TDS4 2/20 0.36
CES2 O00748 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL1150513 0.98 ALDH1A1 (0.46) ALDH1A1TSHRNAAAEPHX1LMNA
SCHEMBL1150465 0.95 ALDH1A1 (0.53) ALDH1A1TSHRNAAAEPHX1LMNA
SCHEMBL1149828 0.90 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHCAR2
SCHEMBL1150163 0.83 LMNA (0.51) ALDH1A1TSHRLMNATP53
SCHEMBL1150168 0.83 LMNA (0.51) ALDH1A1TSHRLMNATP53
SCHEMBL1150166 0.83 LMNA (0.51) ALDH1A1TSHRLMNATP53
SCHEMBL1685649 0.83 LMNA (0.51) ALDH1A1TSHRLMNATP53
SCHEMBL2127847 0.82 NAAA (0.43) ALDH1A1TSHRNAAAEPHX1PPARG
SCHEMBL1685674 0.81 NAAA (0.47) ALDH1A1TSHRNAAALMNAHCAR2
SCHEMBL2129350 0.81 NAAA (0.46) ALDH1A1TSHRNAAAEPHX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506142-B Process for production of trans-2,2-dimethyl- 3-formylcyclopropane carboxylic acid ester SUMITOMO CO LTD 2013-04-17 CN disclosed
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
CN-101506142-A Process for production of trans-2,2-dimethyl- 3-formylcyclopropane carboxylic acid ester SUMITOMO CHEMICAL CO (JP) 2009-08-12 CN disclosed