SCHEMBL25527409

SCHEMBL25527409

CC(C)C(CC(=O)O)OC(=O)CS

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ALOX15 P16050 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 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
SCHEMBL25527284 0.84 ACE (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25946703 0.81 MMP1 (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25527411 0.81 TSHR (0.41) TSHRHSD17B10MMP1MMP2MMP3
SCHEMBL25946807 0.79 TSHR (0.42) TSHRMMP1MMP2MMP3MMP9
SCHEMBL13335494 0.76 MMP1 (0.40) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25527449 0.76 TSHR (0.37) TSHRHSD17B10MMP1MMP2MMP3
SCHEMBL29101123 0.74 TSHR (0.37) TSHRHSD17B10ALOX15SLC22A6SMN1; SMN2
SCHEMBL25527412 0.73 CYP1A2 (0.42) TSHRHSD17B10ALOX15SMN1; SMN2LMNA
SCHEMBL498582 0.73 SLC22A6 (0.38) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5074468 0.72 TSHR (0.50) TSHRHSD17B10MMP1MMP2MMP3

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
US-20230152696-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-18 US disclosed