Cyclopropane

Cyclopropane

SCHEMBL27365076

C1CC1.COC(=O)CCOC(C)C

nearest known ligand 0.48

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
ALDH1A1 P00352 4/20 0.44
EPHX2 P34913 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SLC1A1 P43005 1/20 0.33

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
SCHEMBL6651373 0.94 TSHR (0.55) TSHRALDH1A1KMT2ALMNAMEN1
Cyclopropane SCHEMBL27363746 0.83 LMNA (0.47) TSHRALDH1A1EPHX2LMNAHSD17B10
SCHEMBL16707218 0.81 TSHR (0.58) TSHRALDH1A1KMT2ALMNAMEN1
SCHEMBL14148186 0.79 TSHR (0.56) TSHRALDH1A1KMT2ALMNA
Cyclopropane SCHEMBL28093239 0.78 TSHR (0.57) TSHRALDH1A1EPHX2KMT2ALMNA
SCHEMBL13502946 0.76 ALDH1A1 (0.40) TSHRALDH1A1EPHX2KMT2ALMNA
SCHEMBL7741371 0.76 LMNA (0.52) TSHRALDH1A1EPHX2LMNAKDM4E
SCHEMBL19821796 0.75 TSHR (0.48) TSHRALDH1A1KMT2ALMNAMEN1
SCHEMBL17909484 0.75 TSHR (0.50) TSHRALDH1A1EPHX2KMT2ALMNA
SCHEMBL17909221 0.75 TSHR (0.50) TSHRALDH1A1EPHX2KMT2ALMNA

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