SCHEMBL13767334

SCHEMBL13767334

CC(C)(C=O)CC1C=CCC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRNB3 Q05901 1/20 0.35
▸ CHRNA6 Q15825 1/20 0.35
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL19250736 0.77 USP2 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5169078 0.74 USP2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5803165 0.72 KDM4E (0.33) ALDH1A1ALOX15TDP1
SCHEMBL10996869 0.70 — —
SCHEMBL18196874 0.69 — —
SCHEMBL13246524 0.69 — —
SCHEMBL8244611 0.69 — —
SCHEMBL7994821 0.66 — —
SCHEMBL4428008 0.66 USP2 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1534059 0.65 — —

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
EP-1344772-B1 ARYLBIS (PERFLUOROALKYLSULFONYL) METHANE, METAL SALT OF THE SAME, AND PROCESSES FOR PRODUCING THESE JAPAN SCIENCE & TECH AGENCY (JP) 2009-07-22 — — EP disclosed
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