SCHEMBL30907260

SCHEMBL30907260

COC(=O)Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
UCHL1 P09936 1/20 0.36
LIPE Q05469 3/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
HIF1A Q16665 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CXCR2 P25025 1/20 0.32
HSP90AB1 P08238 1/20 0.32
USP30 Q70CQ3 1/20 0.32
MBOAT4 Q96T53 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 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
SCHEMBL19949149 0.82 DGAT1 (0.36) DGAT1UCHL1LIPEHIF1AGSK3A
SCHEMBL20520117 0.79 FFAR1 (0.33) UCHL1GSK3AGSK3B
SCHEMBL22445348 0.78 LPL (0.33) UCHL1GSK3AGSK3B
SCHEMBL9943204 0.77 LIPE (0.40) DGAT1UCHL1LIPEKDM4EALDH1A1
SCHEMBL29653311 0.77 LIPE (0.40) DGAT1UCHL1LIPEKDM4EALDH1A1
SCHEMBL24667122 0.77 UCHL1 (0.36) DGAT1UCHL1LIPEHIF1AGSK3A
SCHEMBL28360858 0.77 DGAT1 (0.35) DGAT1UCHL1LIPEHIF1AGSK3A
SCHEMBL14712147 0.76 ALDH1A1 (0.43) DGAT1UCHL1KDM4EALDH1A1HIF1A
SCHEMBL14809578 0.76 DGAT1 (0.55) DGAT1HIF1AGSK3AGSK3BCXCR2
SCHEMBL29665108 0.76 DGAT1 (0.55) DGAT1HIF1AGSK3AGSK3BCXCR2

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
WO-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed