SCHEMBL24901134

SCHEMBL24901134

O=C(OCc1cc(F)cc(F)c1)C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
MMP1 P03956 2/20 0.42
MMP12 P39900 2/20 0.42
IDO1 P14902 2/20 0.41
GSK3B P49841 2/20 0.36
BACE1 P56817 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
MMP14 P50281 1/20 0.32

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
SCHEMBL24142281 0.84 HCAR2 (0.54) MMP2MMP9MMP1MMP12IDO1
SCHEMBL24177943 0.83 KMT2A (0.44) MMP2MMP9MMP1MMP12IDO1
SCHEMBL24142274 0.81 IDO1 (0.49) MMP1MMP12IDO1MRGPRX4CES2
SCHEMBL24901131 0.79 MAOA (0.48) MEN1KMT2ACA1CA2MRGPRX4
SCHEMBL13544042 0.79 MMP1 (0.44) MMP2MMP9MMP1MMP12IDO1
SCHEMBL24142683 0.77 KMT2A (0.56) MEN1KMT2AHCAR2L3MBTL1CES1
SCHEMBL24142256 0.76 SERPINE1 (0.42) MEN1KMT2AL3MBTL1CES2CES1
SCHEMBL26163196 0.75 MRGPRX4 (0.41) MMP1MMP12IDO1MEN1KMT2A
SCHEMBL1791163 0.75 IDO1 (0.52) MMP2MMP9MMP1MMP12IDO1
SCHEMBL24142323 0.75 MAOA (0.43) MMP2MMP9MMP1MMP12IDO1

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-20230019681-A1 POSITIVE RESIST MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-01-19 US disclosed