SCHEMBL9505825

SCHEMBL9505825

Cc1ccc(C(=O)CC(CC(=O)c2ccc(C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 1/20 0.49
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 2/20 0.43
GSK3B P49841 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
FFAR1 O14842 1/20 0.43
HSD17B10 Q99714 1/20 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
SCHEMBL9503986 0.86 KMT2A (0.56) ALDH1A1KDM4EPOLBL3MBTL1GAA
SCHEMBL9503695 0.86 POLB (0.54) ALDH1A1KDM4EPOLBL3MBTL1GAA
SCHEMBL9505856 0.86 L3MBTL1 (0.63) ALDH1A1KDM4EHTTPOLBTSHR
SCHEMBL9503965 0.84 L3MBTL1 (0.69) ALDH1A1KDM4EHTTTSHRL3MBTL1
SCHEMBL14838034 0.80 RAB9A (0.63) ALDH1A1KDM4EHTTPOLBTSHR
SCHEMBL9507663 0.80 KMO (0.51) ALDH1A1L3MBTL1GAA
SCHEMBL18373552 0.79 POLB (0.49) ALDH1A1KDM4EHTTPOLBL3MBTL1
SCHEMBL1390078 0.79 GPBAR1 (0.56) ALDH1A1KDM4EHTTPOLBTSHR
SCHEMBL16563071 0.78 POLB (0.47) ALDH1A1KDM4EHTTPOLBTSHR
SCHEMBL22448583 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EHTTPOLBTSHR

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