SCHEMBL9844175

SCHEMBL9844175

CC(NC(=O)CCC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL29872151 0.81 L3MBTL1 (0.49) CYP2C19HIF1AL3MBTL1CYP1A2MAPT
SCHEMBL7872409 0.80 CYP2C19 (0.42) CYP2C19HIF1AL3MBTL1CYP1A2CYP3A4
SCHEMBL10635095 0.80 HIF1A (0.44) CYP2C19HIF1ACYP1A2CYP3A4RECQL
SCHEMBL28905042 0.77 HDAC3 (0.50) CYP2C19HIF1ACYP1A2CYP3A4RECQL
SCHEMBL3982825 0.73 CYP2C19 (0.53) CYP2C19HIF1ACYP1A2CYP3A4RECQL
SCHEMBL5213853 0.73 HDAC3 (0.47) CYP2C19HIF1ACYP1A2CYP3A4RECQL
SCHEMBL28376940 0.73 MAPT (0.55) CYP2C19HIF1ACYP1A2CYP3A4RECQL
SCHEMBL12386591 0.72 PHF8 (0.50) L3MBTL1MAPK1HDAC3HDAC1HDAC2
SCHEMBL2859890 0.72 PHF8 (0.50) HDAC3HDAC1HDAC2HDAC8MAPT
SCHEMBL4441293 0.72 MAPT (0.53) CYP2C19HIF1ACYP1A2CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9682964-B2 Amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-20 US disclosed
EP-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 EP disclosed