SCHEMBL25946807

SCHEMBL25946807

CC(C)C(CC(=O)O)OC(=O)CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
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
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.32
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

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
SCHEMBL9300191 0.81 TSHR (0.43) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25946703 0.81 MMP1 (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25527409 0.79 TSHR (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25946889 0.77 TSHR (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25946895 0.76 MMP1 (0.32) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25946800 0.76 TSHR (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25527284 0.76 ACE (0.39) TSHRMMP1MMP2MMP3MMP9
SCHEMBL13335494 0.76 MMP1 (0.40) TSHRMMP1MMP2MMP3MMP9
SCHEMBL25946802 0.75 PGD (0.32) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25946806 0.73 CYP1A2 (0.42) TSHRTRPA1ALDH1A1ALOX15CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-11720020-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed