SCHEMBL1150127

SCHEMBL1150127

CCCCCOC(=O)C1C(COC(=O)c2ccccc2)C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 5/20 0.49
TSHR P16473 4/20 0.47
MAPK1 P28482 2/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 1/20 0.47
PPARG P37231 3/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
ESR1 P03372 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL1150535 0.99 TDP1 (0.50) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL1150160 0.96 LMNA (0.50) TDP1LMNATSHRMAPK1CYP3A4
SCHEMBL1149784 0.92 LMNA (0.59) TDP1LMNATSHRMAPK1ALDH1A1
SCHEMBL1150093 0.87 LMNA (0.46) TDP1LMNATSHRMAPK1TP53
SCHEMBL1150157 0.83 TSHR (0.46) TDP1LMNATSHRMAPK1ALDH1A1
SCHEMBL1150260 0.81 LMNA (0.47) TDP1LMNATSHRMAPK1ALDH1A1
SCHEMBL1150579 0.81 ALDH1A1 (0.43) TDP1LMNATSHRMAPK1ALDH1A1
SCHEMBL1685670 0.80 PDCD1 (0.42) TDP1LMNATSHRMAPK1ALDH1A1
SCHEMBL1150278 0.80 CES2 (0.42) TDP1LMNATSHRMAPK1ALDH1A1
SCHEMBL132946 0.79 TDP1 (0.81) TDP1LMNATSHRMAPK1CYP3A4

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
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
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