SCHEMBL20762859

SCHEMBL20762859

Oc1ccc(CCc2ccc(-c3cc(-c4ccc(CCc5ccc(O)cc5)cc4)c(C(F)(F)F)cc3C(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ KIF11 P52732 3/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ CA2 P00918 1/20 0.44
▸ AR P10275 2/20 0.41
▸ HSD17B1 P14061 1/20 0.39
▸ HSD17B2 P37059 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC13A5 Q86YT5 1/20 0.38
▸ USP7 Q93009 1/20 0.38

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
SCHEMBL20762690 0.83 KIF11 (0.41) KIF11LTA4HHSD17B1HSD17B2KDM4E
SCHEMBL6059772 0.79 KIF11 (0.50) KIF11ARHSD17B1HSD17B2PDE3B
SCHEMBL20762688 0.79 KIF11 (0.36) KIF11ALDH1A1SLC13A5RXRARXRB
SCHEMBL28415938 0.76 HSD17B1 (0.59) ESR1ESR2KIF11ARHSD17B1
SCHEMBL28638329 0.72 ESR1 (0.82) ESR1ESR2LTA4HCA2KDM4E
SCHEMBL10901435 0.71 KIF11 (0.64) ESR1ESR2KIF11LTA4HCA2
SCHEMBL6058551 0.70 AKR1C3 (0.52) ESR1ESR2KIF11ARHSD17B1
SCHEMBL20762850 0.70 TSHR (0.40) KIF11ALDH1A1SLC13A5RXRARXRB
SCHEMBL3873458 0.69 ESR1 (1.00) ESR1ESR2LTA4HCA2KDM4E
SCHEMBL69344 0.69 ESR1 (1.00) ESR1ESR2LTA4HCA2KDM4E

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