SCHEMBL27438424

SCHEMBL27438424

C=CC(=O)OCCOOCC(CC(C)C)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)C(=O)N(C(COOCCOC(=O)C=C)CC(C)C)C3=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.38
THRB P10828 2/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIN1 Q13526 1/20 0.33
PIN4 Q9Y237 1/20 0.33
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 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 0.87 THRB (0.37) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL27438532 0.83 THRB (0.34) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL26543011 0.77 TSHR (0.41) TSHRTHRBHPGDALDH1A1CYP3A4
SCHEMBL16838565 0.76 TSHR (0.41) TSHRTHRBHPGDPIN1PIN4
SCHEMBL27438202 0.75 THRB (0.30) THRB
SCHEMBL25763972 0.70 TSHR (0.30) TSHR
SCHEMBL16203368 0.69 MEN1 (0.51) TSHRTHRBALDH1A1TP53HIF1A
SCHEMBL13756128 0.68 TSHR (0.49) TSHRTHRBHPGDALDH1A1TP53
SCHEMBL18051612 0.67 PIN1 (0.47) TSHRTHRBHPGDALDH1A1HSD17B10
SCHEMBL19334645 0.66 PIN1 (0.47) TSHRTHRBALDH1A1TP53HIF1A

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