Cyclopropane

Cyclopropane

SCHEMBL27363746

C1CC1.CC(C)OCCC(=O)OC(C)C

nearest known ligand 0.47

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.35
NOTUM Q6P988 1/20 0.35
GAA P10253 1/20 0.34
EPHX2 P34913 1/20 0.34
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 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
SCHEMBL7741371 0.94 LMNA (0.52) LMNAALDH1A1TSHRMAPTCYP2D6
Cyclopropane SCHEMBL27365076 0.83 TSHR (0.48) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL26199851 0.82 LMNA (0.46) LMNAALDH1A1TSHRMAPTCYP2D6
Cyclohexane SCHEMBL27452018 0.78 LMNA (0.61) LMNAALDH1A1TSHRMAPTCYP2D6
Cyclohexane SCHEMBL27646640 0.77 LMNA (0.48) LMNAALDH1A1TSHRMAPTCYP2D6
SCHEMBL72471 0.77 LMNA (0.62) LMNAALDH1A1TSHRMAPTCYP2D6
SCHEMBL498581 0.76 LMNA (0.52) LMNAALDH1A1TSHRMAPTCYP2D6
SCHEMBL6651373 0.76 TSHR (0.55) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL13502946 0.76 ALDH1A1 (0.40) LMNAALDH1A1TSHREPHX2
SCHEMBL17908830 0.75 LMNA (0.52) LMNAALDH1A1TSHRMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1200917-C Process for preparation of cyclopropyl acethlene derivative KURARAY CO (JP) 2005-05-11 CN disclosed
CN-1183090-C Method for preparation of cyclopropyl acrylic derivative �����ɷ� 2005-01-05 CN disclosed
CN-1070833-C Process for preparing cyclopropyl acetylene derivatives KURARAY CO (JP) 2001-09-12 CN disclosed
CN-1281846-A Method for preparation of cyclopropyl acrylic derivative KURARAY CO (JP) 2001-01-31 CN disclosed
CN-1281840-A Process for preparation of cyclopropyl acethlene derivative KURARAY CO (JP) 2001-01-31 CN disclosed
CN-1191856-A Process for preparing cyclopropyl acetylene derivatives KURARAY CO (JP) 1998-09-02 CN disclosed