SCHEMBL20762688

SCHEMBL20762688

C=Cc1ccc(CCc2ccc(-c3cc(-c4ccc(CCc5ccc(C=C)cc5)cc4)c(C(F)(F)F)cc3C(F)(F)F)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ SLC13A5 Q86YT5 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ GLA P06280 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ GAA P10253 1/20 0.30

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 0.79 ESR1 (0.48) KIF11ALDH1A1SLC13A5RXRARXRB
SCHEMBL1647493 0.73 ALDH1A1 (0.65) ALDH1A1MAOBPOLBTSHR
SCHEMBL50012 0.73 ALDH1A1 (0.65) ALDH1A1MAOBPOLBTSHR
SCHEMBL20762690 0.73 KIF11 (0.41) KIF11ALDH1A1SLC13A5MAOBRXRA
SCHEMBL20762850 0.72 TSHR (0.40) KIF11ALDH1A1SLC13A5RXRARXRB
SCHEMBL30309537 0.69 AKR1C3 (0.42) KIF11ALDH1A1AKR1C3AKR1C2HSD11B1
SCHEMBL7518860 0.69 CA2 (0.46) ALDH1A1GAATSHR
SCHEMBL22317484 0.68 ALDH1A1 (0.41) ALDH1A1SLC13A5TSHR
SCHEMBL1646806 0.66 ALDH1A1 (0.48) ALDH1A1MAOBTSHR
SCHEMBL24355083 0.66 ALDH1A1 (0.42) ALDH1A1TSHR

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
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