SCHEMBL29851978

SCHEMBL29851978

C[Si](C)(C)CCOCn1ncc(-c2ccc3c(c2)C(F)(F)c2ccccc2-3)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.36
FEN1 P39748 5/20 0.36
PDK2 Q15119 5/20 0.34
DGAT1 O75907 3/20 0.33
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
EGFR P00533 1/20 0.30
IGF1R P08069 1/20 0.30
SRC P12931 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
EPHB4 P54760 1/20 0.30
TEK Q02763 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
SCHEMBL28824100 1.00 ALOX5AP (0.36) ALOX5APFEN1PDK2DGAT1BRD4
SCHEMBL23294447 0.88 DGAT1 (0.40) ALOX5APFEN1DGAT1
SCHEMBL29851912 0.88 DGAT1 (0.40) ALOX5APFEN1DGAT1
SCHEMBL29852091 0.84 LPL (0.33) DGAT1
SCHEMBL23294380 0.84 LPL (0.33) DGAT1
SCHEMBL23328998 0.79 DGAT1 (0.35) PDK2DGAT1
SCHEMBL3508463 0.72 DGAT1 (0.39) DGAT1
SCHEMBL23294549 0.69 LPL (0.41) DGAT1
SCHEMBL23326031 0.66 NPC1 (0.34) DGAT1
SCHEMBL15741938 0.65 DGAT1 (0.34) ALOX5APFEN1DGAT1

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
CN-114929676-A Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2022-08-19 CN disclosed