SCHEMBL27438532

SCHEMBL27438532

C=CC(=O)OCCOC(=O)CCC(=O)OCC(CC(C)C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(COC(=O)CCC(=O)OCCOC(=O)C=C)CC(C)C)C5=O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
TSHR P16473 3/20 0.34
PIN1 Q13526 1/20 0.32
PIN4 Q9Y237 1/20 0.32
TERT O14746 1/20 0.32
ALDH1A1 P00352 2/20 0.30
TP53 P04637 2/20 0.30
HIF1A Q16665 2/20 0.30
HSD17B10 Q99714 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
SCHEMBL25783976 0.96 THRB (0.37) THRBTSHRPIN1PIN4ALDH1A1
SCHEMBL27438202 0.90 THRB (0.30) THRB
SCHEMBL25782578 0.87 KDM5B (0.32) TERT
SCHEMBL25782550 0.84 KDM5B (0.31)
SCHEMBL26543011 0.83 TSHR (0.41) THRBTSHRPIN1PIN4ALDH1A1
SCHEMBL27438424 0.83 TSHR (0.38) THRBTSHRPIN1PIN4ALDH1A1
SCHEMBL25763972 0.79 TSHR (0.30) TSHR
SCHEMBL25783969 0.76 TSHR (0.36) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL26570726 0.75 EPHX2 (0.35) PIN1PIN4TERTALDH1A1HIF1A
SCHEMBL25763948 0.75 TSHR (0.37) THRBTSHRALDH1A1TP53HIF1A

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-2024143485-A1 COMPOUND, COMPOSITION, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR 三菱ケミカル株式会社 2024-07-04 WO disclosed