SCHEMBL8466174

SCHEMBL8466174

CCOC(=O)C=CC1CC1.CCOC(=O)CC(OCC)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.33
UGT2B7 P16662 2/20 0.33
CYP2D6 P10635 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MAPT P10636 1/20 0.31
TTR P02766 1/20 0.30
DPP4 P27487 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL8468578 0.90
SCHEMBL6683507 0.84 CYP2D6 (0.41) L3MBTL1UGT2B7CYP2D6TDP1KDM4E
SCHEMBL18828565 0.80 HCAR2 (0.52) HCAR2L3MBTL1TDP1CA12CA1
SCHEMBL7512242 0.80 HCAR2 (0.52) HCAR2L3MBTL1TDP1CA12CA1
SCHEMBL7512241 0.80 HCAR2 (0.52) HCAR2L3MBTL1TDP1CA12CA1
SCHEMBL25249782 0.78 CYP2D6 (0.46) L3MBTL1UGT2B7CYP2D6TDP1KDM4E
SCHEMBL25251873 0.77 CYP2D6 (0.44) L3MBTL1UGT2B7CYP2D6KDM4E
SCHEMBL10073830 0.75 HCAR2 (0.47) HCAR2L3MBTL1TDP1CA12CA1
SCHEMBL18090625 0.74 HCAR2 (0.46) HCAR2L3MBTL1TDP1CA12CA1
SCHEMBL5789254 0.74 HCAR2 (0.46) HCAR2L3MBTL1TDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955627-A Process for the preparation of cyclopropylacetylene derivatives KURARAY CO., LTD. (JP) 1999-09-21 US disclosed