SCHEMBL5608741

SCHEMBL5608741

FC(F)(F)c1ccc2c(c1)C1C(=Cc3ccccc31)CCC1=Cc3ccccc3C1c1cc(C(F)(F)F)ccc1O[Zr]O2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
PNMT P11086 1/20 0.33
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
KDM1A O60341 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
ALOX5 P09917 1/20 0.31
HTR2A P28223 3/20 0.30
HTR2C P28335 3/20 0.30
HTR2B P41595 3/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
CTSD P07339 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
SCHEMBL6684067 0.84 KMT2A (0.35) PNMTHTR2AHTR2CHTR2B
SCHEMBL8086807 0.82 CYP1A2 (0.36) CYP1A2CYP2D6PNMTPTGS1PTGS2
SCHEMBL8082812 0.81 CYP1A2 (0.35) CYP1A2CYP2D6PTGS1PTGS2
SCHEMBL8075355 0.79 CYP1A2 (0.33) CYP1A2CYP2D6MRGPRX4
SCHEMBL8083522 0.76 TERT (0.33) PNMTHTR2AHTR2CHTR2B
SCHEMBL8075360 0.76 PNMT (0.32) PNMT
SCHEMBL8083664 0.74 CYP1A2 (0.38) CYP1A2CYP2D6PNMTKDM1AHTR2A
SCHEMBL6688399 0.65 HTR2C (0.33) HTR2AHTR2C
Hydrochloric Acid SCHEMBL9099275 0.65 KDM1A (0.38) KDM1A
SCHEMBL3891976 0.65 KDM1A (0.38) KDM1A

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-0997480-B1 CATALYTIC COMPONENTS FOR THE POLYMERIZATION OF OLEFINS, POLYMERIZATION CATALYSTS, AND PROCESS FOR POLYMERIZING OLEFINS BY USING THE SAME MARUZEN PETROCHEM CO LTD (JP) 2007-02-14 EP disclosed
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
EP-1035138-A1 SOLID CATALYSTS FOR THE POLYMERIZATION OF OLEFINS AND PROCESS FOR THE PRODUCTION OF OLEFIN POLYMERS THEREWITH MARUZEN PETROCHEMICAL CO., LTD. (JP) 2000-09-13 EP disclosed