SCHEMBL4879093

SCHEMBL4879093

CC(=CCC1([SiH3])CCCCO1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 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
SCHEMBL28230173 0.83
SCHEMBL27844911 0.77 TSHR (0.33) TSHR
SCHEMBL5031018 0.75 KDM1A (0.38) KDM1A
SCHEMBL6432121 0.74 MEN1 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL28129950 0.74 TSHR (0.31) TSHR
SCHEMBL1694288 0.74 MEN1 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL28243931 0.73 TSHR (0.32) TSHR
SCHEMBL28182494 0.71 TSHR (0.33) TSHR
SCHEMBL9242618 0.70
SCHEMBL60702 0.70 MAOA (0.41) KDM1AALDH1A1

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-20080021152-A1 Anti-Foam Compositions WACKER CHEMIE AG (DE) 2008-01-24 US disclosed