SCHEMBL6250319

SCHEMBL6250319

CC(C)CC1=CC(c2ccccc2)=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
SLC6A2 P23975 2/20 0.31
TAAR1 Q96RJ0 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
MAOA P21397 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6251775 0.79 TP53 (0.34) ALDH1A1L3MBTL1TAAR1
SCHEMBL6252469 0.76 HPGD (0.33) KDM4EALDH1A1MAPTHPGDL3MBTL1
SCHEMBL6249661 0.74 HSD11B1 (0.37) ALDH1A1HPGDADORA1SIGMAR1ADORA3
SCHEMBL6255606 0.72 SIGMAR1 (0.42) MEN1KMT2AADORA2AADORA1SLC6A2
SCHEMBL6250445 0.72 TDP1 (0.31) KDM4EALDH1A1
SCHEMBL1824459 0.69 ALDH1A1 (0.35) ALDH1A1HPGDL3MBTL1SLC6A4CYP2A6
SCHEMBL7635776 0.69 ALDH1A1 (0.35) ALDH1A1HPGDL3MBTL1SLC6A4CYP2A6
SCHEMBL8973091 0.66
SCHEMBL1028408 0.66 SIGMAR1 (0.39) ALDH1A1HPGDSIGMAR1
SCHEMBL6570080 0.66 SIGMAR1 (0.39) ALDH1A1HPGDSIGMAR1

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-0926150-B1 Production of alkali metal cyclopentadienylides and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylides HONSHU CHEMICAL IND (JP) 2005-09-07 EP disclosed
US-6046346-A Production of alkali metal cyclopentadienylide and production of dihalobis (η-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-04 US disclosed
EP-0926150-A2 Production of alkali metal cyclopentadienylide and production of dihalobis(eta-substituted-cyclopentadienyl) zirconium from alkali metal cyclopentadienylide Honshu Chemical Industry Co. Ltd. (JP) 1999-06-30 EP disclosed