SCHEMBL9745806

SCHEMBL9745806

CC(C)[Sn](O)(c1ccccc1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
RIPK1 Q13546 2/20 0.31
ALOX15 P16050 1/20 0.31
AOC3 Q16853 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
CYP3A4 P08684 1/20 0.30
LMNA P02545 1/20 0.30
HIF1A Q16665 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
SCHEMBL9746333 0.74 RIPK1 (0.31) RIPK1
SCHEMBL9745861 0.72 ALDH1A1 (0.37) TRPA1TDP1ALDH1A1KDM4EALOX15
SCHEMBL9745978 0.72 KDM4E (0.37) TRPA1TDP1ALDH1A1KDM4EALOX15
SCHEMBL9745936 0.72 KMT2A (0.38) TDP1ALDH1A1ALOX15ESR1ESR2
SCHEMBL9745344 0.72 ALDH1A1 (0.37) TDP1ALDH1A1KDM4ERIPK1ALOX15
SCHEMBL9745507 0.70 KDM4E (0.35) TRPA1TDP1ALDH1A1KDM4EALOX15
SCHEMBL9745998 0.67 HPGD (0.33) ALDH1A1RIPK1AOC3HIF1A
SCHEMBL25291459 0.66 TDP1 (0.36) TDP1SLC6A4ALDH1A1KDM4EALOX15
SCHEMBL1452401 0.66 TDP1 (0.36) TDP1SLC6A4ALDH1A1KDM4EALOX15
SCHEMBL31352841 0.66 ALDH1A1 (0.37) TDP1ALDH1A1ALOX15CYP2D6ESR1

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-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed