SCHEMBL28040384

SCHEMBL28040384

C[Mg]c1cc(C)cc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 3/20 0.36
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 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
SCHEMBL10320331 0.81 RAPGEF4 (0.38) RAPGEF4ACHEKDM4EALDH1A1LMNA
SCHEMBL10319941 0.77 RAPGEF4 (0.35) RAPGEF4ACHEKDM4EALDH1A1LMNA
SCHEMBL27871056 0.76
Hydrochloric Acid SCHEMBL10319935 0.74
Bromide SCHEMBL4249586 0.74
SCHEMBL1551822 0.73 RAPGEF4 (0.59) RAPGEF4ACHEKDM4EALDH1A1LMNA
SCHEMBL28951 0.73 RAPGEF4 (0.59) RAPGEF4ACHEKDM4EALDH1A1LMNA
SCHEMBL28482658 0.70 RAPGEF4 (0.56) RAPGEF4ACHEKDM4EALDH1A1LMNA
SCHEMBL5180888 0.70 RAPGEF4 (0.56) RAPGEF4ACHEKDM4EALDH1A1LMNA
SCHEMBL10412763 0.70 RAPGEF4 (0.56) RAPGEF4ACHEKDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed