SCHEMBL16358514

SCHEMBL16358514

CCC1(CC)c2cc(C(C)=O)ccc2-c2ccc(-c3ccc([Si](C)(C)C)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.41
▸ HSD17B1 P14061 4/20 0.40
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ ADORA3 P0DMS8 2/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL18012639 0.83 NPC1 (0.52) PDK2HSD17B1MAPTNPC1RAB9A
SCHEMBL16358513 0.79 PDK2 (0.44) PDK2KIF11
SCHEMBL16358511 0.79 PDK2 (0.33) PDK2TDP2
SCHEMBL18012748 0.76 PDK2 (0.58) PDK2HSD17B1MAPTNPC1RAB9A
SCHEMBL9959826 0.73 HSD17B1 (0.59) HSD17B1MAPTRAB9AADORA3KIF11
SCHEMBL16358498 0.73 PDK2 (0.38) PDK2MAPTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL12213232 0.72 PGR (0.30) PGR
SCHEMBL16358899 0.72 PDK2 (0.34) PDK2
SCHEMBL16358515 0.72 CCNT1 (0.34) PDK2
SCHEMBL5387522 0.71 PDK2 (0.47) PDK2HSD17B1TDP2MEN1KMT2A

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-2010140801-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) 2010-12-09 — — WO disclosed
Send feedback