SCHEMBL5721240

SCHEMBL5721240

CCCCC1=Cc2c(ccc(CC)c2-c2ccccc2)C1C[SiH2]CC1C(CCCC)=Cc2c1ccc(CC)c2-c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ELANE P08246 1/20 0.30
CTSG P08311 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
SCHEMBL5721542 0.93
SCHEMBL5721214 0.89
SCHEMBL5608882 0.87 ELANE (0.34) ELANECTSG
SCHEMBL7058317 0.85
SCHEMBL7061063 0.81 TP53 (0.31) ALDH1A1KDM4ECYP1A2CYP2D6MAPT
SCHEMBL3998578 0.81 PSMB5 (0.33) KDM4E
SCHEMBL7158422 0.79
SCHEMBL5610189 0.77
SCHEMBL5609260 0.77
SCHEMBL5721799 0.76

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
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed