SCHEMBL25649573

SCHEMBL25649573

Bc1ccc2c(c1)oc1cc3c4c(cccc4c12)-c1ccccc1-3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.38
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ AHR P35869 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PABPC1 P11940 2/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL25649820 0.88 HPGD (0.40) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL25649702 0.88 HPGD (0.40) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL25649323 0.82 ALDH1A1 (0.40) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL24030679 0.81 AHR (0.57) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL25674080 0.80 ALDH1A1 (0.35) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL24662745 0.76 AHR (0.48) ALDH1A1HPGDHSD17B10L3MBTL1CASP1
SCHEMBL23299576 0.76 MAOB (0.38) ALDH1A1HPGDAHRMAPTKDM4E
SCHEMBL24030609 0.76 ALDH1A1 (0.41) ALDH1A1HPGDTSHRMAPK1HSD17B10
SCHEMBL16548074 0.76 TDP1 (0.47) HPGDTSHRMAPK1HSD17B10L3MBTL1
SCHEMBL24030604 0.75 ALDH1A1 (0.40) ALDH1A1HPGDTSHRMAPK1HSD17B10

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
WO-2023113577-A1 COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-06-22 — — WO disclosed
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