SCHEMBL6472265

SCHEMBL6472265

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.45
CES2 O00748 3/20 0.45
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
ELANE P08246 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41

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
SCHEMBL16697813 0.84 CES1 (0.42) CES1CES2MAPTSMN1; SMN2NPSR1
SCHEMBL6472934 0.84 MAPT (0.44) CES1CES2MAPTSMN1; SMN2NPSR1
SCHEMBL1173261 0.83 PGR (0.43) CES1CES2MAPTSMN1; SMN2NPSR1
SCHEMBL15673297 0.81 SMN1; SMN2 (0.44) CES1CES2MAPTSMN1; SMN2NPSR1
SCHEMBL8850427 0.80 MAPT (0.53) CES1CES2MAPTSMN1; SMN2NPSR1
SCHEMBL28287732 0.78 GAA (0.42) CES1CES2MAPTSMN1; SMN2NPSR1
SCHEMBL38971 0.77 LMNA (0.40) MAPTSMN1; SMN2NPSR1LMNAMEN1
SCHEMBL29280181 0.77 ELANE (0.38) CES1CES2MAPTSMN1; SMN2NPSR1
SCHEMBL367453 0.75 CES1 (0.54) CES1CES2MAPTSMN1; SMN2LMNA
SCHEMBL1232452 0.75 CES1 (0.54) CES1CES2MAPTSMN1; SMN2LMNA

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-2005109041-A1 COMPOSITIONS FOR USE IN THE MANUFACTURE OF LENSES MEDICAL POLYMERS LIMITED (GB) 2005-11-17 WO disclosed