SCHEMBL9314684

SCHEMBL9314684

C=Cc1ccc(COCCCC(C)(C)O[SiH3])cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
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

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
SCHEMBL9315822 0.84 TP53 (0.34) TDP1
SCHEMBL9315909 0.81 CHRNB2 (0.49) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL316695 0.79 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL316600 0.79 ALDH1A1 (0.46) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL7793946 0.79 APP (0.40) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL18868387 0.78 ALDH1A1 (0.44) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL1316435 0.77 CHRNB2 (0.42) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL18832287 0.76 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL10071502 0.75 TDP1 (0.42) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4
SCHEMBL1664388 0.75 CA1 (0.40) ALDH1A1TDP1L3MBTL1CHRNB2CHRNB4

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-5342983-A Polymer reforming agents SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-08-30 US disclosed