SCHEMBL8620935

SCHEMBL8620935

CCCC(=O)CCC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
AKR1B1 P15121 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CNR2 P34972 2/20 0.44
IAPP P10997 1/20 0.43
VNN1 O95497 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL107900 0.96 L3MBTL1 (0.59) L3MBTL1TDP1CES2CES1AKR1B1
Acetone SCHEMBL7728200 0.92 L3MBTL1 (0.56) L3MBTL1TDP1CES2CES1AKR1B1
SCHEMBL8618254 0.89 TDP1 (0.53) L3MBTL1TDP1CES2CES1AKR1B1
SCHEMBL8619264 0.87 CES1 (0.64) L3MBTL1TDP1CES2CES1AKR1B1
SCHEMBL11191831 0.87 KMT2A (0.59) L3MBTL1TDP1CES2CES1MEN1
SCHEMBL19246183 0.86 L3MBTL1 (0.50) L3MBTL1TDP1CES2CES1AKR1B1
SCHEMBL8617001 0.86 TDP1 (0.58) L3MBTL1TDP1CES2CES1AKR1B1
SCHEMBL22431869 0.85 CES2 (0.44) L3MBTL1TDP1CES2CES1AKR1B1
SCHEMBL9026786 0.85 LMNA (0.60) L3MBTL1TDP1MEN1KMT2AALDH1A1
SCHEMBL330291 0.84 TDP1 (0.56) L3MBTL1TDP1CES2CES1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592881-B1 Process for producing optically active gamma-hydroxyketones TAKASAGO PERFUMERY CO LTD (JP) 1998-05-20 EP disclosed
US-5349107-A Ruthenium optically active phosphine complex TAKASAGO INTERNATIONAL CORPORATION (JP) 1994-09-20 US disclosed
EP-0592881-A2 Process for producing optically active gamma-hydroxyketones Takasago International Corporation (JP) 1994-04-20 EP disclosed