SCHEMBL8087939

SCHEMBL8087939

CC(=O)Oc1c([Si](C)(C)C)ccc2c1C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP3 P42574 2/20 0.35
▸ WEE1 P30291 2/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ PARP1 P09874 3/20 0.33
▸ PREP P48147 2/20 0.33
▸ CELA1 Q9UNI1 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ CASP2 P42575 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ CASP8 Q14790 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ PPOX P50336 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL8080599 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6634972 0.69 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL19667897 0.68 CYP4F2 (0.40) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL10914392 0.67 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8094145 0.66 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5464774 0.65 MEN1 (0.54) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL28839422 0.63 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6157005 0.63 RAB9A (0.53) KDM4EALDH1A1HPGDHSD17B10CHEK1
SCHEMBL6562742 0.62 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5171611 0.62 PARP1 (0.46) KDM4EALDH1A1HPGDHSD17B10GAA

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-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 — — US disclosed
Send feedback