SCHEMBL9506718

SCHEMBL9506718

CCN(CC)c1ccc(C(CC(=O)c2ccc(Cl)cc2)CC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
CNR2 P34972 7/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44

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
SCHEMBL9505840 0.85 L3MBTL1 (0.60) POLBALDH1A1TSHRCNR2L3MBTL1
SCHEMBL9503695 0.85 POLB (0.54) POLBCYP2C9CYP2C19ALDH1A1L3MBTL1
SCHEMBL9838217 0.80 CNR2 (0.43) POLBCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL10253260 0.79 CYP2C9 (0.65) POLBCYP2C9CYP2C19TSHRL3MBTL1
SCHEMBL10428619 0.78 CNR2 (0.55) POLBALDH1A1CNR2KMT2AMAPT
SCHEMBL28731474 0.77 L3MBTL1 (0.64) POLBCYP2C9CYP2C19TSHRL3MBTL1
SCHEMBL10252945 0.75 POLB (0.68) POLBCYP2C9CYP2C19TSHRL3MBTL1
SCHEMBL10355544 0.75 CNR2 (0.50) ALDH1A1TSHRCNR2L3MBTL1MAPT
SCHEMBL2587322 0.75 L3MBTL1 (0.57) POLBCYP2C9CYP2C19TSHRL3MBTL1
SCHEMBL12158732 0.75 L3MBTL1 (0.57) POLBCYP2C9CYP2C19TSHRL3MBTL1

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-0395991-B1 3-AMINOPHENYL-1,5-PENTANEDIONES BASF Aktiengesellschaft (DE) 1993-06-23 EP disclosed
US-5053524-A Intermediate for synthesis of triphenylcyclopentadiene dyes BASF AKTIENGESELLSCHAFT (DE) 1991-10-01 US disclosed
EP-0395991-A1 3-Aminophenyl-1,5-pentanediones BASF Aktiengesellschaft (DE) 1990-11-07 EP disclosed