SCHEMBL25855148

SCHEMBL25855148

c1ccc(C2(c3ccccc3-c3cccc4c3Oc3cccc5cccc-4c35)c3ccccc3-c3cc4ccccc4cc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 2/20 0.44
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HIF1A Q16665 1/20 0.38
TYMS P04818 1/20 0.38
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL25860218 0.92 MAPK1 (0.51) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25854234 0.92 KDM4E (0.40) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25854400 0.91 KDM4E (0.39) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25842233 0.90 MAPK1 (0.46) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25859642 0.89 MAPK1 (0.41) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25860557 0.88 MAPK1 (0.40) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25842365 0.88 MAPK1 (0.44) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25842714 0.87 MAPK1 (0.49) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25855007 0.86 MAPK1 (0.43) MAPK1KDM4EATMALDH1A1TSHR
SCHEMBL25857894 0.86 KDM4E (0.36) KDM4EMEN1LMNAMAPTOPRK1

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed