SCHEMBL28242011

SCHEMBL28242011

C=C(C#N)C(=O)O.CCCCCCCCc1ccc(OC(=O)c2ccccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
THRA P10827 1/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
KAT8 Q9H7Z6 3/20 0.43
PLK1 P53350 5/20 0.42
EP300 Q09472 1/20 0.42
KAT5 Q92993 1/20 0.42
STAT3 P40763 2/20 0.41
PPARA Q07869 1/20 0.40
PLK3 Q9H4B4 3/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL2804130 0.87 HSD17B10 (0.56) THRBTHRAHPGDHSD17B10ALOX15
SCHEMBL78019 0.87 HSD17B10 (0.56) THRBTHRAHPGDHSD17B10ALOX15
SCHEMBL11705063 0.87 HSD17B10 (0.56) THRBTHRAHPGDHSD17B10ALOX15
SCHEMBL31121312 0.87 HSD17B10 (0.56) THRBTHRAHPGDHSD17B10ALOX15
Benzophenone SCHEMBL28063748 0.83 HPGD (0.52) THRBTHRAHPGDHSD17B10ALOX15
SCHEMBL410854 0.82 HPGD (0.59) THRBTHRAHPGDHSD17B10ALOX15
Phenyl Salicylate SCHEMBL10436750 0.80 HPGD (0.52) THRBTHRAHPGDHSD17B10ALOX15
SCHEMBL8079737 0.80 MAPT (0.51) THRBTHRAHPGDHSD17B10ALOX15
Phenyl Salicylate SCHEMBL3628267 0.78 HPGD (0.75) HPGDHSD17B10ALOX15
SCHEMBL29105354 0.78 THRB (0.61) THRBTHRAPLK1PLK3PTGS2

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
CN-108570154-A A kind of modified casein lotion and its application 上海欧畅新材料科技有限公司 2018-09-25 CN disclosed