SCHEMBL9109410

SCHEMBL9109410

CCOC(=O)CCCSCCCC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47
PDE4D Q08499 1/20 0.47
TSHR P16473 4/20 0.47
ABL1 P00519 2/20 0.47
RIN1 Q13671 2/20 0.47
ALDH1A1 P00352 4/20 0.45
TDP1 Q9NUW8 2/20 0.44
TRPA1 O75762 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DGKA P23743 1/20 0.43

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
SCHEMBL15065943 0.94 TSHR (0.54) CYP1A2GAAMGAMSIMGAM2
SCHEMBL15065552 0.91 TSHR (0.57) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11351902 0.90 CYP1A2 (0.66) CYP1A2GAAMGAMSIMGAM2
SCHEMBL10357469 0.90 CYP1A2 (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL7747709 0.90 DGKA (0.55) CYP1A2TSHRABL1RIN1ALDH1A1
SCHEMBL10504555 0.90 DGKA (0.55) CYP1A2TSHRABL1RIN1ALDH1A1
SCHEMBL10357230 0.90 CYP1A2 (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL14643394 0.90 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL9627048 0.87 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11616108 0.86 CYP1A2 (0.59) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629151-B1 CHARGING MEMBER CANON KK (JP) 2017-03-08 EP disclosed
EP-2629151-A1 ELECTRIFICATION MEMBER Canon Kabushiki Kaisha (JP) 2013-08-21 EP disclosed
US-8501312-B2 Charging member CANON KABUSHIKI KAISHA (JP) 2013-08-06 US disclosed
US-20120141161-A1 CHARGING MEMBER CANON KABUSHIKI KAISHA (JP) 2012-06-07 US disclosed
US-4433134-A POLYOXYALKYLENEPOLYOL PHILLIPS PETROLEUM COMPANY (US) 1984-02-21 US disclosed
US-4307225-A STORAGE STABLE PHILLIPS PETROLEUM COMPANY (US) 1981-12-22 US disclosed
US-4232167-A Preparation of alkyl mercaptocarboxylate/dialkyl thiodicarboxylate mixture using sulfur and/or water cocatalyst PHILLIPS PETROLEUM COMPANY (US) 1980-11-04 US disclosed
US-4224436-A MERCAPTAN-TERMINATED POLYETHER; THERMAL STABILITY PHILLIPS PETROLEUM COMPANY (US) 1980-09-23 US disclosed
US-4113707-A Poly(oxyalkylene)-polyester-poly(sulfide)-polythiol prepared by ester interchange PHILLIPS PETROLEUM COMPANY (US) 1978-09-12 US disclosed