SCHEMBL8754471

SCHEMBL8754471

C=C1COC(C)(c2ccccc2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
SIRT1 Q96EB6 2/20 0.35
EGFR P00533 2/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD11B1 P28845 1/20 0.33
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10824602 0.82 CHRNA1 (0.37) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL10512044 0.77 SIRT1 (0.43) CYP1A2SIRT1KDM4EHPGDHSD11B1
SCHEMBL10824601 0.76 HDAC4 (0.33) OPRM1TSHR
SCHEMBL8931208 0.75 EGFR (0.36) EGFRHDAC1HDAC2OPRM1OPRK1
SCHEMBL1664714 0.72 TSHR (0.47) CYP1A2SIRT1CHRNB2SLC6A2CHRNB4
SCHEMBL873359 0.68 CHRNB2 (0.41) CYP1A2SIRT1CHRNB2SLC6A2CHRNB4
SCHEMBL5616835 0.68 CYP1A2 (0.42) CYP1A2SIRT1CHRNB2SLC6A2CHRNB4
SCHEMBL14306895 0.68 CYP1A2 (0.42) CYP1A2CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL1730477 0.68 ALDH1A1 (0.41) CYP1A2SIRT1CHRNB2SLC6A2CHRNB4
SCHEMBL11001302 0.67 SIRT1 (0.43) CYP1A2SIRT1OPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0455343-B1 Liquid developers having curable liquid vehicles XEROX CORP (US) 1997-04-23 EP disclosed
US-5543177-A Marking materials containing retroreflecting fillers XEROX CORPORATION (US) 1996-08-06 US disclosed
US-5397673-A Curable strip-out development processes XEROX CORPORATION (US) 1995-03-14 US disclosed
US-5395724-A Curable liquid developers XEROX CORPORATION (US) 1995-03-07 US disclosed
US-5364726-A Liquid developers having curable liquid vehicles XEROX CORPORATION (US) 1994-11-15 US disclosed
US-5334699-A Polymeric initiator compounds XEROX CORPORATION (US) 1994-08-02 US disclosed
US-5232812-A Method of forming images using curable liquid XEROX CORPORATION (US) 1993-08-03 US disclosed
EP-0455343-A1 Liquid developers having curable liquid vehicles XEROX CORPORATION (US) 1991-11-06 EP disclosed