SCHEMBL12834878

SCHEMBL12834878

CCC(C)(C)C1C2CC(C(=O)OC)C(C2)C1C(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
FKBP1A P62942 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM3 P20309 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
SCHEMBL15268340 0.85 FKBP1A (0.31) FKBP1A
SCHEMBL879061 0.84
SCHEMBL13359052 0.76
SCHEMBL22590284 0.75
SCHEMBL12834873 0.74 MAPT (0.31) MAPTFKBP1A
SCHEMBL879033 0.72 CAPN9 (0.34)
SCHEMBL20906871 0.70
SCHEMBL3694474 0.69 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3781317 0.69 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2680879 0.67 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-2296040-A1 Positive photosensitive composition Fujifilm Corporation (JP) 2011-03-16 EP disclosed