SCHEMBL20762690

SCHEMBL20762690

OCc1cc(CCc2ccc(-c3cc(-c4ccc(CCc5cc(CO)c(O)c(CO)c5)cc4)c(C(F)(F)F)cc3C(F)(F)F)cc2)cc(CO)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ SLC13A5 Q86YT5 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ RXRA P19793 3/20 0.33
▸ RXRB P28702 3/20 0.33
▸ RXRG P48443 3/20 0.33
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ SHBG P04278 1/20 0.33
▸ LTA4H P09960 2/20 0.33
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 1/20 0.32
▸ NCSTN Q92542 1/20 0.32

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
SCHEMBL20762859 0.83 ESR1 (0.48) KIF11KDM4EALDH1A1SLC13A5RXRA
SCHEMBL20762688 0.73 KIF11 (0.36) KIF11ALDH1A1SLC13A5RXRARXRB
SCHEMBL17427334 0.72 KDM4E (0.38) KDM4ECASP6ALDH1A1HPGDHSD17B10
SCHEMBL19738378 0.68 FFAR1 (0.41) KDM4EALDH1A1HPGDHSD17B10PTGS1
SCHEMBL17577153 0.68 SHBG (0.42) KDM4EALDH1A1HPGDHSD17B10SHBG
SCHEMBL6059772 0.67 KIF11 (0.50) KIF11RXRARXRBRXRGHSD17B1
SCHEMBL17578343 0.67 TP53 (0.44) KDM4EALDH1A1HPGDHSD17B10PTGS1
SCHEMBL17058715 0.66 CA1 (0.42) KIF11KDM4EHSD17B1HSD17B2SHBG
SCHEMBL17427311 0.66 PDK2 (0.36) KDM4ECASP6ALDH1A1HPGDHSD17B10
SCHEMBL17427322 0.66 PDK2 (0.36) KDM4ECASP6ALDH1A1HPGDHSD17B10

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
US-20190056676-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, AND ELECTROPHOTOGRAPHIC APPARATUS AND PROCESS CARTRIDGE EACH INCLUDING THE ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER CANON KABUSHIKI KAISHA (JP) 2019-02-21 — — US disclosed
Send feedback