SCHEMBL11280877

SCHEMBL11280877

CCCn1ccc2c1CCCC2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.44
PLK1 P53350 1/20 0.44
PLK3 Q9H4B4 1/20 0.44
BRD4 O60885 1/20 0.43
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PABPC1 P11940 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 5/20 0.37
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
BUB1 O43683 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTT P42858 5/20 0.34

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
SCHEMBL11270598 0.90 PLK1 (0.41) CSNK2A1PLK1PLK3BRD4HPGD
SCHEMBL13415965 0.86 BRD4 (0.44) CSNK2A1PLK1PLK3BRD4HPGD
SCHEMBL8327546 0.83 HTT (0.41) CSNK2A1PLK1PLK3BRD4HPGD
SCHEMBL1254852 0.80 HPGD (0.39) CSNK2A1PLK1PLK3BRD4HPGD
SCHEMBL1266405 0.77 CSNK2A1 (0.50) CSNK2A1PLK1PLK3BRD4HPGD
SCHEMBL8326599 0.76 KDM4E (0.38) CSNK2A1PLK1PLK3BRD4HPGD
SCHEMBL7445206 0.75 BRD4 (0.45) CSNK2A1PLK1PLK3BRD4HPGD
SCHEMBL7962458 0.75 LMNA (0.36) CSNK2A1PLK1PLK3BRD4HPGD
SCHEMBL22916957 0.75 TP53 (0.50) BRD4HPGDSMN1; SMN2ALDH1A1MEN1
SCHEMBL11275611 0.74 BRD4 (0.57) CSNK2A1BRD4HPGDSMN1; SMN2ALDH1A1

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-4336202-A 1,3-Cyclohexanedione derivatives KURARAY CO., LTD. (JP) 1982-06-22 US disclosed
EP-0041656-A2 Cyclohexanone derivatives and preparation thereof KURARAY CO., LTD. (JP) 1981-12-16 EP disclosed