SCHEMBL29035571

SCHEMBL29035571

CCC(C(C)=O)(C(=O)O)C(=O)c1ccccc1.[AlH3]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.44
CES2 O00748 7/20 0.44
SRC P12931 1/20 0.40
CTNNB1 P35222 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL29029684 0.89 CES1 (0.48) CES1CES2SRCCTNNB1CYP1A2
SCHEMBL27714041 0.85 CES1 (0.52) CES1CES2SRCCTNNB1CYP1A2
SCHEMBL28332040 0.80 POLB (0.47) CES1SRCLMNAKDM4EMEN1
SCHEMBL29029663 0.78 CES1 (0.45) CES1CES2SRCCTNNB1CYP1A2
SCHEMBL4984505 0.76 SMN1; SMN2 (0.44) CES1CES2SRCCYP1A2CYP2D6
SCHEMBL27800486 0.76 SMN1; SMN2 (0.44) CES1CES2SRCCYP1A2CYP2D6
SCHEMBL27727275 0.76 ALDH1A1 (0.33) CYP1A2CYP2D6MEN1KMT2ATDP1
SCHEMBL9244395 0.76 CTNNB1 (0.53) CES1CES2SRCCTNNB1CYP1A2
SCHEMBL28150145 0.74 SRC (0.46) CES1CES2SRCCTNNB1CYP1A2
SCHEMBL29029673 0.74 PIN1 (0.50) CES1SRCLMNAMEN1MAPT

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
CN-109716491-B Method for manufacturing field effect transistor and method for manufacturing wireless communication device 东丽株式会社 2023-06-09 CN disclosed