SCHEMBL8092992

SCHEMBL8092992

CC1=C(c2ccccc2)C=C(C(C)C)C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CFTR P13569 1/20 0.30
GOPC Q9HD26 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
Hydrochloric Acid SCHEMBL8616064 0.79
SCHEMBL8088031 0.77 ALDH1A1 (0.35) ALDH1A1CFTRGOPC
Hydrochloric Acid SCHEMBL8460871 0.74
SCHEMBL8079538 0.71 TP53 (0.33)
SCHEMBL5718140 0.67 MAPK1 (0.35) TDP1ALDH1A1KDM4E
SCHEMBL6407526 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4467574 0.66 PRCP (0.35) CDC25ACDC25B
SCHEMBL31197637 0.66 PRCP (0.35) CDC25ACDC25B
SCHEMBL7616904 0.66 PRCP (0.35) CDC25ACDC25B
SCHEMBL6250445 0.64 TDP1 (0.31) TDP1ALDH1A1CDC25ACDC25BKDM4E

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-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