SCHEMBL8619264

SCHEMBL8619264

O=C(CCC(=O)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.64
CES2 O00748 1/20 0.64
AKR1B1 P15121 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KEAP1 Q14145 1/20 0.52
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
CTBP2 P56545 1/20 0.50
EPHX2 P34913 1/20 0.50
HSD11B1 P28845 1/20 0.49
PAM P19021 2/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL2131696 0.93 AKR1B1 (0.62) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL77563 0.89 CES1 (0.70) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL8617001 0.89 TDP1 (0.58) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL11466790 0.89 L3MBTL1 (0.53) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL8620925 0.89 ALDH1A1 (0.61) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL9327613 0.89 L3MBTL1 (0.53) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL452362 0.88 TDP1 (0.79) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL9421024 0.88 TDP1 (0.56) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL12569407 0.88 L3MBTL1 (0.56) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL11065138 0.87 L3MBTL1 (0.51) CES1CES2AKR1B1L3MBTL1TDP1

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