SCHEMBL4422211

SCHEMBL4422211

CCC1c2ccc(O)cc2OC(C)(C)c2cc(O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CNR2 P34972 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
XDH P47989 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL4412333 0.70 ESR1 (0.40) ESR1ESR2TMEM97
SCHEMBL30629205 0.69 KDM4E (0.50) ESR1ESR2CNR2PTGS1PTGS2
SCHEMBL26768304 0.69 KDM4E (0.50) ESR1ESR2CNR2PTGS1PTGS2
SCHEMBL6905793 0.67 ESR1 (0.44) ESR1ESR2OPRM1PTGS1PTGS2
SCHEMBL5819203 0.67 MAOA (0.44) ESR1ESR2TMEM97HTR2BSIGMAR1
SCHEMBL9749008 0.66 TMEM97 (0.40) ESR1ESR2CNR2TMEM97HTR2B
SCHEMBL5821844 0.66 BRD4 (0.44) ESR1ESR2LMNAKDM4EALDH1A1
SCHEMBL5951499 0.64 ESR1 (0.60) ESR1ESR2LMNAKDM4EALDH1A1
SCHEMBL9749322 0.63 KDM4E (0.43) OPRM1OPRD1OPRK1CNR2TMEM97
SCHEMBL9748880 0.63 KDM4E (0.46) CNR2TMEM97HTR2BSIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4535048-A Toner for development of electrostatic charges CANON KABUSHIKI KAISHA (JP) 1985-08-13 US claimed
WO-2023219642-A1 TONER PARTICLE COMPRISING RESIN BASED ON POLYETHYLENE TEREPHTHALATE (PET) HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2023-11-16 WO disclosed
US-7608379-B2 Toner and manufacturing method thereof SHARP KABUSHIKI KAISHA (JP) 2009-10-27 US disclosed
EP-0488743-B1 Electrophotographic toner for negative charging MITA INDUSTRIAL CO LTD (JP) 1996-07-24 EP disclosed
US-5225300-A Zinc salicylate, quaternary ammonium compound with oxyacid anion MITA INDUSTRIAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0488743-A1 Electrophotographic toner for negative charging MITA INDUSTRIAL CO., LTD. (JP) 1992-06-03 EP disclosed