SCHEMBL6325557

SCHEMBL6325557

Nc1cccc(Oc2ccc(CC(F)C(F)(F)C(F)(F)F)cc2)c1N

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
FFAR1 O14842 1/20 0.32
GAA P10253 2/20 0.31
RCE1 Q9Y256 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
IKBKB O14920 1/20 0.31
BRAF P15056 1/20 0.31
LTA4H P09960 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL6333307 0.87 GAA (0.37) GAARCE1L3MBTL1MAPTALDH1A1
SCHEMBL6325554 0.79 GAA (0.31) GAARCE1L3MBTL1LMNAMAPT
SCHEMBL6333313 0.77 SLC6A4 (0.41) GAARCE1IKBKBBRAFALDH1A1
SCHEMBL8824338 0.75 GAA (0.41) GAARCE1L3MBTL1IKBKBBRAF
SCHEMBL6327218 0.72 IDO1 (0.41) GAARCE1L3MBTL1IKBKBBRAF
SCHEMBL6360817 0.72 L3MBTL1 (0.50) GAARCE1L3MBTL1LMNAMAPT
SCHEMBL6332514 0.70 GAA (0.37) GAARCE1LMNAIKBKBBRAF
SCHEMBL8685747 0.70 ALDH1A1 (0.43) GAALMNAMAPTRAB9AALDH1A1
SCHEMBL28424336 0.70 L3MBTL1 (0.38) GAARCE1L3MBTL1LMNAMAPT
SCHEMBL29137112 0.70 GAA (0.39) GAARCE1L3MBTL1MAPTIKBKB

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-20050272608-A1 Polyimide metal laminate and its production method MITSUI CHEMICALS, INC. (JP) 2005-12-08 US disclosed