SCHEMBL24405481

SCHEMBL24405481

CCC(=O)NC(C)COC(C)COC(C)COC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
ACACB O00763 3/20 0.34
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ACACA Q13085 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 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
SCHEMBL26035929 0.87 LPAR3 (0.37) LMNAACACBTDP1MEN1KMT2A
SCHEMBL14984022 0.86 TDP1 (0.37) CYP2C9ACACBTDP1LPAR3
SCHEMBL17833384 0.85 LMNA (0.44) CYP2C9LMNAHPGDALDH1A1HTT
SCHEMBL13912219 0.85 LMNA (0.44) CYP2C9LMNAHPGDALDH1A1HTT
SCHEMBL17833383 0.85 LMNA (0.44) CYP2C9LMNAHPGDALDH1A1HTT
SCHEMBL18623790 0.80 TDP1 (0.39) CYP2C9ACACBTDP1
SCHEMBL20465884 0.77 TSHR (0.44) HPGDALDH1A1HTTRAB9AACACB
SCHEMBL14984025 0.77 TDP1 (0.39) CYP2C9ACACBTDP1
SCHEMBL15686682 0.75 CYP2C9 (0.45) CYP2C9LMNAACACBMEN1KMT2A
SCHEMBL94224 0.73 TDP1 (0.33) LMNAHPGDALDH1A1HTTRAB9A

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
EP-3995548-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIOELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-11 EP disclosed