SCHEMBL7189938

SCHEMBL7189938

O=C(O)c1ccc(Oc2ccccc2)c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.42
CTNNB1 P35222 1/20 0.41
HPSE Q9Y251 1/20 0.41
KDM4E B2RXH2 3/20 0.39
POLB P06746 3/20 0.39
HSD17B10 Q99714 1/20 0.39
SCN8A Q9UQD0 2/20 0.38
SCN10A Q9Y5Y9 2/20 0.38
STK39 Q9UEW8 1/20 0.37
SCN9A Q15858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL29962379 0.94 MEN1 (0.39) TTRHPSEKDM4EPOLBHSD17B10
SCHEMBL29963007 0.90 SCN9A (0.41) TTRKDM4EPOLBHSD17B10SCN9A
SCHEMBL3193336 0.89 HTT (0.45) KDM4EHSD17B10TDP1ALDH1A1
SCHEMBL3755844 0.85 HTT (0.39) KDM4EHSD17B10TDP1ALDH1A1
SCHEMBL6003571 0.85 POLB (0.44) TTRHPSEKDM4EPOLBHSD17B10
SCHEMBL9129691 0.85 MEN1 (0.39) TTRKDM4EHSD17B10SCN8ASCN10A
SCHEMBL4858902 0.84 RXRA (0.43) STK39ALDH1A1
SCHEMBL9127692 0.84 MEN1 (0.38) TTRKDM4EHSD17B10SCN8ASCN10A
SCHEMBL4858145 0.82 PTGDR2 (0.38)
SCHEMBL29962914 0.82 RHEB (0.39) TTRKDM4EPOLBHSD17B10STK39

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117202984-A Polyimide porous film 东京应化工业株式会社 2023-12-08 CN disclosed
US-20030054184-A1 Optical element, method for the production thereof and optical module HITACHI CHEMICAL CO., LTD. (JP) 2003-03-20 US disclosed