SCHEMBL22705875

SCHEMBL22705875

c1ccc(-c2cc(-c3c4cccc(-c5cccc6c5c5ccccc5p6-c5ccccc5)c4cc4c(-c5cccc6c5c5ccccc5p6-c5ccccc5)cccc34)c3ccccc3c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ TSHR P16473 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL22707883 0.91 ALDH1A1 (0.37) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL22705940 0.88 ALDH1A1 (0.42) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL22707739 0.88 ALDH1A1 (0.34) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL22705879 0.87 KDM4E (0.32) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL22705951 0.86 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL22707121 0.85 — —
SCHEMBL22705734 0.85 — —
SCHEMBL22706001 0.85 CES1 (0.39) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL22707369 0.85 — —
SCHEMBL22705956 0.84 PRKDC (0.32) GPR84

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-20200373496-A1 ORGANIC LIGHT EMITTING ELEMENT LG CHEM, LTD. (KR) 2020-11-26 — — US disclosed
Send feedback