SCHEMBL25208482

SCHEMBL25208482

c1ccc(-c2cccc3ccccc23)c(-c2cc3cccc4c3c(c2-c2ccccc2-c2cccc3ccccc23)-c2ccccc2-4)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.53
MAPK1 P28482 3/20 0.53
HSD17B10 Q99714 3/20 0.53
CASP1 P29466 3/20 0.53
HPGD P15428 2/20 0.53
HIF1A Q16665 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CES1 P23141 1/20 0.46
ANPEP P15144 1/20 0.46
CASP7 P55210 2/20 0.45
TP53 P04637 1/20 0.45
ATM Q13315 1/20 0.45
GPR84 Q9NQS5 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
TYMP P19971 1/20 0.38
DNMT1 P26358 2/20 0.38
MAOA P21397 2/20 0.38

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
SCHEMBL30537775 1.00 ALDH1A1 (0.53) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL30302782 0.98 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL25402580 0.98 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL31276565 0.92 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL30302797 0.89 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL25239428 0.89 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL25403806 0.87 ANPEP (0.49) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL25239431 0.84 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL30021146 0.84 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1HSD17B10CASP1
SCHEMBL25404300 0.79 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1HSD17B10CASP1

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
CN-118339941-A Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition 出光兴产株式会社 2024-07-12 CN disclosed
WO-2023171544-A1 MIXED POWDER, METHOD FOR MANUFACTURING MIXED POWDER, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2023-09-14 WO disclosed
WO-2023100891-A1 SOLID MOLTEN MIXTURE, SOLID COMPOSITION, MIXED POWDER, METHOD FOR CHOOSING ORGANIC COMPOUND, METHOD FOR PRODUCING SOLID MOLTEN MIXTURE, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2023-06-08 WO disclosed