SCHEMBL9509830

SCHEMBL9509830

C=CC(=O)OOC(=O)OOC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.33
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 3/20 0.31
HIF1A Q16665 3/20 0.31
CYP3A4 P08684 2/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.31
THRB P10828 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
SCHEMBL9509835 0.88 TSHR (0.31) TSHR
SCHEMBL8881160 0.87 TSHR (0.38) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL303730 0.79 TSHR (0.44) TSHRALDH1A1HSD17B10TDP1
SCHEMBL419299 0.74 TSHR (0.46) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL8878162 0.73 TSHR (0.41) TSHRALDH1A1HSD17B10TP53HIF1A
SCHEMBL28316024 0.72 ALDH1A1 (0.32) TSHRALDH1A1HSD17B10TDP1
SCHEMBL28520902 0.71 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10TP53HIF1A
SCHEMBL28009874 0.71 TSHR (0.43) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL3385623 0.71 THRB (0.33) TSHRALDH1A1HSD17B10TP53HIF1A
SCHEMBL9511245 0.71 ALDH1A1 (0.39) TSHRALDH1A1HSD17B10TDP1THRB

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
EP-0294062-B1 RESIN COMPOSITIONS AND MOLDED PRODUCTS THEREOF UBE INDUSTRIES, LTD. (JP) 1993-09-01 EP disclosed
US-4879341-A WATERPROOF, FLEXIBILE, RIDIGITY, UBE INDUSTRIES, LTD. (JP) 1989-11-07 US disclosed
EP-0294062-A2 Resin compositions and molded products thereof UBE INDUSTRIES, LTD. (JP) 1988-12-07 EP disclosed