SCHEMBL17599778

SCHEMBL17599778

CC(CC(Cc1c(C(=O)O)c(-c2ccccc2)c(C(C)(C)C)c(O)c1C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
PKM P14618 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL29598323 0.75 BID (0.42) MCL1DPP4
SCHEMBL10591491 0.74 BID (0.44) MCL1
SCHEMBL6516655 0.74 SLC37A4 (0.42) MCL1DPP4
SCHEMBL7917841 0.73 GLRA3 (0.41) FABP3FABP4FABP5HDAC4HDAC2
SCHEMBL30400599 0.70 KDM4E (0.37) FABP3FABP4FABP5PKMHKDC1
SCHEMBL28133115 0.66 LMNA (0.40) FABP3FABP4FABP5HDAC3HDAC4
SCHEMBL27987654 0.63 GRM6 (0.45) PKMHKDC1L3MBTL1
SCHEMBL11876688 0.60 GLRA3 (0.45) MCL1PKMHKDC1L3MBTL1
SCHEMBL30272446 0.60 GLRA3 (0.45) MCL1PKMHKDC1L3MBTL1
SCHEMBL25144993 0.59 MAPT (0.51)

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-2998359-B1 METHOD FOR IMPROVING THE ELECTRICAL-INSULATING PROPERTY AND THE FOGGING RESISTANCE OF A POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2019-08-21 EP disclosed
US-20160115298-A1 MOLDED ARTICLE, INSULATING MATERIAL COMPRISING SAME, AND METHOD FOR IMPROVING ELECTRICAL-INSULATING PROPERTY OF POLYESTER RESIN COMPOSITION ADEKA CORPORATION (JP) 2016-04-28 US disclosed
EP-2998359-A1 MOLDED ARTICLE, INSULATING MATERIAL COMPRISING SAME, AND METHOD FOR IMPROVING ELECTRICAL-INSULATING PROPERTY OF POLYESTER RESIN COMPOSITION Adeka Corporation (JP) 2016-03-23 EP disclosed