SCHEMBL9318318

SCHEMBL9318318

CC(C)(C)C(=O)CC(=O)Cc1ccccc1.CCC(=O)CC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CES1 P23141 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 3/20 0.38
SRD5A2 P31213 2/20 0.38
PLOD2 O00469 1/20 0.37

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
SCHEMBL1898937 0.85 CES1 (0.50) MEN1KMT2ACES1HPGDSMN1; SMN2
SCHEMBL8355931 0.83 KMT2A (0.57) MAPTMEN1KMT2ACES1CYP3A4
SCHEMBL600679 0.82 MEN1 (0.64) MAPTMEN1KMT2ACES1CYP3A4
SCHEMBL2059932 0.80 KMT2A (0.67) MAPTMEN1KMT2ACES1CYP3A4
SCHEMBL30158972 0.78 KMT2A (0.64) MAPTMEN1KMT2ACES1CYP3A4
SCHEMBL2059951 0.78 KMT2A (0.64) MAPTMEN1KMT2ACES1CYP3A4
SCHEMBL1434267 0.78 KMT2A (0.64) MAPTMEN1KMT2ACES1CYP3A4
SCHEMBL26103059 0.78 KMT2A (0.64) MAPTMEN1KMT2ACES1CYP3A4
SCHEMBL31146674 0.78 KMT2A (0.64) MAPTMEN1KMT2ACES1CYP3A4
SCHEMBL7503862 0.78 CES2 (0.52) MEN1KMT2ACES1HPGDTDP1

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
US-5331086-A Deashing process for polyolefins using an alpha,beta-unsaturated ketone PHILLIPS PETROLEUM COMPANY (US) 1994-07-19 US claimed