SCHEMBL8082812

SCHEMBL8082812

C[Si]1(C)C2=Cc3ccccc3C2c2cc(C(F)(F)F)ccc2O[Zr]Oc2ccc(C(F)(F)F)cc2C2C1=Cc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL8075355 0.84 CYP1A2 (0.33) CYP1A2CYP2D6
SCHEMBL8086807 0.82 CYP1A2 (0.36) CYP1A2CYP2D6PTGS1PTGS2
SCHEMBL5608741 0.81 CYP1A2 (0.34) CYP1A2CYP2D6PTGS1PTGS2
SCHEMBL6684067 0.68 KMT2A (0.35)
SCHEMBL6906174 0.67
SCHEMBL6688399 0.66 HTR2C (0.33)
SCHEMBL8083522 0.65 TERT (0.33)
SCHEMBL5084844 0.65 SLC6A2 (0.33)
SCHEMBL8075360 0.63 PNMT (0.32)
SCHEMBL12231609 0.60 CYP1A2 (0.56) CYP1A2CYP2D6

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-1041084-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME MARUZEN PETROCHEMICAL CO., LTD. (JP) 2000-10-04 EP disclosed