SCHEMBL29136080

SCHEMBL29136080

CC(=O)C1(O)CCC2CCCCC2C1(C(C)=O)C(C)=O.CC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
CHRM1 P11229 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 4/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
CYP2C19 P33261 2/20 0.36
NR3C1 P04150 2/20 0.36
SHBG P04278 2/20 0.36
SERPINA6 P08185 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPK3 P27361 1/20 0.36
BLM P54132 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
HIF1A Q16665 3/20 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
SCHEMBL31440758 0.80 HSD11B1 (0.33) SERPINA6HSD17B10
Acetone SCHEMBL27746460 0.71 ALDH1A1 (0.46) LMNAKMT2AMEN1MAPTSMN1; SMN2
Acetic Acid SCHEMBL31758441 0.69 HPGD (0.45) LMNAKMT2AMEN1MAPTSMN1; SMN2
Bicarbonate SCHEMBL15652769 0.68 HPGD (0.46) LMNAKMT2AMEN1MAPTSMN1; SMN2
Cyclohexane SCHEMBL9420602 0.68 MAPT (0.50) NPSR1LMNAKMT2AMEN1MAPT
Methyl Alcohol SCHEMBL9328801 0.68 ALDH1A1 (0.48) NPSR1LMNAKMT2AMEN1MAPT
SCHEMBL22522 0.67 ALDH1A1 (0.52) NPSR1LMNAKMT2AMEN1MAPT
SCHEMBL7102666 0.67 ALDH1A1 (0.52) NPSR1LMNAKMT2AMEN1MAPT
Urea SCHEMBL28209428 0.66 MAPT (0.45) LMNAKMT2AMEN1MAPTSMN1; SMN2
Cyclohexylamine SCHEMBL25278168 0.66 NPSR1 (0.50) NPSR1LMNAKMT2AMEN1MAPT

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-117136202-A Fluorine-based resin, composition, photocrosslinked product, and electronic device provided with same 东曹株式会社 2023-11-28 CN disclosed