SCHEMBL25527307

SCHEMBL25527307

O=C(O)CC(OC(=O)CCS)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.51
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
CYP2C19 P33261 1/20 0.38
FFAR1 O14842 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GSR P00390 1/20 0.35

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
SCHEMBL25527404 0.87 GABBR2 (0.43) ACEGABBR2GABBR1CYP2C19FFAR1
SCHEMBL25527303 0.86 FFAR1 (0.46) ACEFFAR1KMT2A
SCHEMBL25527301 0.84 FFAR1 (0.42) ACECYP2C19FFAR1MEN1KMT2A
SCHEMBL8771299 0.80 CYP1A2 (0.50) MEN1KMT2A
SCHEMBL10826821 0.77 ACE (0.58) ACEMEN1KMT2A
SCHEMBL9554855 0.76 MAPT (0.43) GABBR2GABBR1CYP2C19FFAR1
SCHEMBL28580701 0.76 PABPC1 (0.54) GABBR2GABBR1CYP2C19FFAR1
SCHEMBL27544273 0.76 ALDH1A1 (0.57) MEN1KMT2A
SCHEMBL7399630 0.74 ACE (0.55) ACECYP2C19FFAR1MEN1KMT2A
SCHEMBL25946900 0.73 GABBR2 (0.43) GABBR2GABBR1CYP2C19FFAR1GSR

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