SCHEMBL9565976

SCHEMBL9565976

CC(C)(C)C(=O)CC(=O)C(C)(C)C.[RbH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
VDR P11473 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
MEN1 O00255 1/20 0.30
RCE1 Q9Y256 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
SCHEMBL93393 0.96 KMT2A (0.39) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL4837194 0.96 KMT2A (0.39) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL15788961 0.93 NPC1 (0.37) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL15788938 0.93 KMT2A (0.37) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL4778005 0.93 KMT2A (0.37) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL6910342 0.93 KMT2A (0.37) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL9566006 0.93 KMT2A (0.37) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL21405194 0.93 KMT2A (0.37) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL21002308 0.93 KMT2A (0.37) KMT2AHSD11B1NPC1RAB9AL3MBTL1
SCHEMBL9325238 0.93 KMT2A (0.37) KMT2AHSD11B1NPC1RAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1620212-A Organic devices and organic devices production method JUNJI KIDO (JP) 2005-05-25 CN disclosed
EP-0565715-A1 LIQUEFIED GAS FUEL FOR GENERATING HIGHLY LUMINOUS COLORED FLAME YOSHIBI, CO., LTD. (JP) 1993-10-20 EP disclosed