SCHEMBL17753754

SCHEMBL17753754

COc1ccc(C(C)(C)c2ccc(OC(C)=O)c(C)c2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
CYP2C19 P33261 1/20 0.44
BACE1 P56817 1/20 0.41
TSHR P16473 1/20 0.40
GAA P10253 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
NR3C1 P04150 1/20 0.38
TNFSF11 O14788 1/20 0.38
FFAR1 O14842 1/20 0.38
FFAR2 O15552 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
JUN P05412 1/20 0.37
NFKB1 P19838 1/20 0.37
SSTR4 P31391 1/20 0.37
PTGS1 P23219 1/20 0.36

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
SCHEMBL13163895 0.93 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL2608608 0.87 TSHR (0.47) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL10015729 0.86 TSHR (0.46) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL9338985 0.84 ESR1 (0.47) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL12438737 0.81 TSHR (0.42) ALDH1A1HPGDKDM4ECYP2C19TSHR
SCHEMBL22828266 0.81 BACE1 (0.51) ALDH1A1HPGDHSD17B10KDM4EBACE1
SCHEMBL14570628 0.80 KMT2A (0.49) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL14682197 0.79 CFD (0.42) ALDH1A1BACE1TSHRNR3C1TNFSF11
SCHEMBL17224675 0.79 CYP2C19 (0.51) ALDH1A1HPGDHSD17B10KDM4EUSP2
SCHEMBL4981997 0.78 KDM4E (0.62) ALDH1A1HPGDHSD17B10KDM4EUSP2

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
US-9684277-B2 Process cartridge and image-forming method CANON KABUSHIKI KAISHA (JP) 2017-06-20 US disclosed
US-20170060008-A1 IMAGE FORMING METHOD, PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-03-02 US disclosed
US-20160139556-A1 PROCESS CARTRIDGE AND IMAGE-FORMING METHOD CANON KABUSHIKI KAISHA (JP) 2016-05-19 US disclosed