SCHEMBL7962458

SCHEMBL7962458

C=CCn1ccc2c1CCCC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
BRD4 O60885 1/20 0.36
PLK1 P53350 1/20 0.36
CSNK2A1 P68400 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PABPC1 P11940 1/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.33
CYP2A6 P11509 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CRHBP P24387 1/20 0.32
MAPK1 P28482 1/20 0.32
CRHR2 Q13324 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL13415965 0.78 BRD4 (0.44) LMNABRD4PLK1CSNK2A1PLK3
SCHEMBL7440359 0.76 HPGD (0.39) LMNABRD4PLK1CSNK2A1PLK3
SCHEMBL11280877 0.75 CSNK2A1 (0.44) LMNABRD4PLK1CSNK2A1PLK3
SCHEMBL8327546 0.75 HTT (0.41) LMNABRD4PLK1CSNK2A1PLK3
SCHEMBL11275611 0.73 BRD4 (0.57) LMNABRD4CSNK2A1HPGDKMT2A
SCHEMBL11270598 0.73 PLK1 (0.41) LMNABRD4PLK1CSNK2A1PLK3
SCHEMBL20780055 0.73 SIGMAR1 (0.34) POLB
SCHEMBL1254852 0.72 HPGD (0.39) LMNABRD4PLK1CSNK2A1PLK3
SCHEMBL8326599 0.72 KDM4E (0.38) LMNABRD4PLK1CSNK2A1PLK3
SCHEMBL22916957 0.71 TP53 (0.50) LMNABRD4HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001074803-A1 METHOD FOR PREPARING 3-(4-HYDROXY-1H-INDOL-YLMETHYL)-PYRIDINIUM COMPOUNDS USING AN ALDOLISATION REACTION L'OREAL (FR) 2001-10-11 WO disclosed
WO-2001072739-A1 METHOD FOR PREPARING 3-(4-HYDROXY-1H-INDOL-5-YLMETHYL)-PYRIDINIUM COMPOUNDS VIA ENONES L'OREAL (FR) 2001-10-04 WO disclosed
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