SCHEMBL6684067

SCHEMBL6684067

COc1cc2c(cc1OC)C1C(=C2)CCC2=Cc3cc(OC)c(OC)cc3C2c2cc(C(F)(F)F)ccc2O[Zr]Oc2ccc(C(F)(F)F)cc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
HTR2A P28223 4/20 0.34
MTNR1B P49286 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PNMT P11086 1/20 0.31
CA2 P00918 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2C P28335 3/20 0.30
HTR2B P41595 3/20 0.30
MAPT P10636 1/20 0.30
KIF11 P52732 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
SCHEMBL5608741 0.84 CYP1A2 (0.34) HTR2APNMTHTR2CHTR2B
SCHEMBL8083522 0.75 TERT (0.33) HTR2APNMTHTR2CHTR2B
SCHEMBL8075360 0.73 PNMT (0.32) PNMT
SCHEMBL8086807 0.69 CYP1A2 (0.36) PNMT
SCHEMBL5084362 0.68 KMT2A (0.38) KMT2AHTR2AMTNR1BRAB9AL3MBTL1
SCHEMBL8082812 0.68 CYP1A2 (0.35)
SCHEMBL8075355 0.65 CYP1A2 (0.33)
SCHEMBL21874397 0.62 HTR2A (0.44) HTR2ADDB1CRBNRAB9AL3MBTL1
SCHEMBL10451549 0.60 MEN1 (0.53) KMT2AHTR2ARAB9AL3MBTL1CA2
SCHEMBL23801947 0.57 MAPT (0.44) KMT2AHTR2ADDB1CRBNMAPT

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-1380598-A1 Supported catalyst for olefin polymerization and process for polymerizing olefin by means thereof MARUZEN PETROCHEMICAL CO., LTD. (JP) 2004-01-14 EP disclosed