SCHEMBL9745344

SCHEMBL9745344

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 4/20 0.37
TSHR P16473 4/20 0.37
ALOX15 P16050 2/20 0.36
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
CYP3A4 P08684 3/20 0.34
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 2/20 0.32
IDO1 P14902 1/20 0.32
CA12 O43570 2/20 0.32
CA2 P00918 2/20 0.32
LMNA P02545 2/20 0.32
CA3 P07451 2/20 0.32

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
SCHEMBL9745936 0.79 KMT2A (0.38) ALDH1A1TDP1TSHRALOX15ESR1
SCHEMBL31352841 0.72 ALDH1A1 (0.37) ALDH1A1TDP1TSHRALOX15ESR1
SCHEMBL31558571 0.72 MAPK1 (0.42) ALDH1A1TSHRALOX15ESR1ESR2
SCHEMBL9745806 0.72 TRPA1 (0.33) ALDH1A1TDP1ALOX15ESR1ESR2
SCHEMBL9745740 0.72 ALDH1A1 (0.33) ALDH1A1TDP1TSHRALOX15ESR1
Bromide SCHEMBL28375499 0.70 ESR1 (0.36) ALDH1A1TDP1TSHRALOX15ESR1
SCHEMBL9746366 0.69 TSHR (0.35) ALDH1A1TDP1TSHRALOX15IDO1
SCHEMBL9745998 0.69 HPGD (0.33) ALDH1A1TSHRKMT2ACYP2C19MEN1
SCHEMBL9745777 0.69 TSHR (0.35) ALDH1A1TDP1TSHRALOX15IDO1
SCHEMBL9745422 0.68 MAPK1 (0.33) ALDH1A1TSHRALOX15ESR1ESR2

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