SCHEMBL8728398

SCHEMBL8728398

[CH]c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AXL P30530 1/20 0.40
KIF11 P52732 1/20 0.40
P2RX7 Q99572 1/20 0.39
CES1 P23141 1/20 0.39
IDO1 P14902 2/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
PNMT P11086 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PDK2 Q15119 1/20 0.36
TSHR P16473 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
SCHEMBL29441997 0.76 ALDH1A1 (0.52) ALDH1A1POLBTDP1L3MBTL1KIF11
SCHEMBL63469 0.76 ALDH1A1 (0.52) ALDH1A1POLBTDP1L3MBTL1KIF11
SCHEMBL7601747 0.75 MPL (0.46) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL2000756 0.75 HSD11B1 (0.46) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL8729161 0.75 HSD11B1 (0.34) ALDH1A1POLBTDP1L3MBTL1IDO1
Hydrogen Sulfide SCHEMBL28274662 0.73 ALDH1A1 (0.50) ALDH1A1POLBTDP1L3MBTL1KIF11
SCHEMBL1041748 0.73 TAS2R14 (0.46) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL408969 0.73 ALDH1A1 (0.39) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL396026 0.73 POLB (0.44) ALDH1A1POLBTDP1L3MBTL1AXL
SCHEMBL21303635 0.73 ALDH1A1 (0.39) ALDH1A1POLBTDP1L3MBTL1AXL

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
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed