SCHEMBL13596409

SCHEMBL13596409

COC(=O)C1CC2CC1C1C3CC(CC3C)C21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
CYP3A4 P08684 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL13596410 0.95 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12271054 0.83 CYP1A2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18675220 0.81 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21654483 0.81 CYP1A2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9908326 0.81 CYP1A2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23776445 0.79 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18662511 0.79 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20663719 0.79 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18269160 0.78 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16229105 0.78 PPM1B (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638256-B2 Fluorinated cyclic structure-bearing silicon compounds and silicone resins, resist compositions using the same, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-29 US disclosed
US-20070009832-A1 Fluorinated cyclic structure-bearing silicon compounds and silicone resins, resist compositions using the same, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-01-11 US disclosed