SCHEMBL2187223

SCHEMBL2187223

CC(C)C(C(=O)c1ccccc1)(C(=O)c1ccccc1)C(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 4/20 0.45
CES1 P23141 4/20 0.44
PGR P06401 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
KCNH2 Q12809 1/20 0.43
CES2 O00748 2/20 0.41
SRC P12931 1/20 0.41
MLYCD O95822 1/20 0.40
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL3003271 0.86 CES1 (0.52) MDM2TDP1L3MBTL1LMNACES1
SCHEMBL507732 0.76 CES1 (0.50) TDP1L3MBTL1LMNACES1PGR
SCHEMBL418270 0.74 TDP1 (0.50) MDM2TDP1L3MBTL1LMNACES1
SCHEMBL28567881 0.73 CES1 (0.52) TDP1L3MBTL1LMNACES1CES2
SCHEMBL27384600 0.72 CES1 (0.50) TDP1L3MBTL1LMNACES1PGR
SCHEMBL8463346 0.72 CES1 (0.50) TDP1L3MBTL1LMNACES1PGR
SCHEMBL6699073 0.72 CES1 (0.50) TDP1L3MBTL1LMNACES1PGR
Methyl Alcohol SCHEMBL27531298 0.72 TDP1 (0.48) MDM2TDP1L3MBTL1LMNACES1
SCHEMBL13647200 0.71 CES1 (0.59) TDP1L3MBTL1LMNACES1PGR
SCHEMBL1645556 0.71 CES1 (0.48) TDP1L3MBTL1LMNACES1PGR

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
EP-1181001-B1 SUNSCREEN COMPOSITION CONTAINING SOL-GEL MICROCAPSULES SOL GEL TECHNOLOGIES LTD (IL) 2011-07-13 EP claimed