SCHEMBL25847311

SCHEMBL25847311

CC1(C)c2ccccc2-c2ccc(-c3ccc4cccc5c4c3Sc3ccccc3-5)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
PDK2 Q15119 5/20 0.32
TYMS P04818 2/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25847196 0.94 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25862274 0.93 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25847109 0.89 TYMS (0.38) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25862272 0.89 MEN1 (0.32) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25847306 0.88 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25862275 0.88 MEN1 (0.32) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25847315 0.86 ALDH1A1 (0.31) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25847193 0.85 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25847197 0.85 TYMS (0.34) ALDH1A1TSHRMAPK1HSD17B10TP53
SCHEMBL25847112 0.84 TYMS (0.33) ALDH1A1TSHRMAPK1HSD17B10TP53

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