SCHEMBL25813558

SCHEMBL25813558

CCC(C)C(=O)OCC(CC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.53
CYP1A2 P05177 2/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
FFAR1 O14842 1/20 0.44
LMNA P02545 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MMP8 P22894 1/20 0.40
GAA P10253 1/20 0.39
APAF1 O14727 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
SCHEMBL1837097 0.84 CYP1A2 (0.58) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL6423861 0.84 CYP1A2 (0.58) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL1837099 0.84 CYP1A2 (0.58) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL7019140 0.83 CYP1A2 (0.56) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL3008828 0.83 CYP1A2 (0.56) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL28307360 0.82 SCN4A (0.46) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL21046173 0.81 SMN1; SMN2 (0.54) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL6423856 0.81 CYP1A2 (0.54) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL13176888 0.81 CYP1A2 (0.80) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1
SCHEMBL28352042 0.79 CYP2D6 (0.51) CYP2D6CYP1A2PKMSMN1; SMN2NPSR1

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-20230369600-A1 ELECTRODE COMPOSITION, ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY, AND ALL-SOLID STATE SECONDARY BATTERY, AND MANUFACTURING METHODS FOR ELECTRODE SHEET FOR ALL-SOLID STATE SECONDARY BATTERY AND ALL-SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2023-11-16 US disclosed
US-20230223593-A1 INORGANIC SOLID ELECTROLYTE-CONTAINING COMPOSITION, SHEET FOR ALL-SOLID STATE SECONDARY BATTERY, AND ALL-SOLID STATE SECONDARY BATTERY, AND MANUFACTURING METHODS FOR SHEET FOR ALL-SOLID STATE SECONDARY BATTERY AND ALL-SOLID STATE SECONDARY BATTERY FUJIFILM CORPORATION (JP) 2023-07-13 US disclosed