SCHEMBL28654087

SCHEMBL28654087

CC(C)(C)CCCc1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
LIPG Q9Y5X9 1/20 0.33
MITF O75030 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGER4 P35408 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
SCHEMBL17103521 0.89 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL8454107 0.83 MEN1 (0.36) LMNAKMT2AMEN1THRBBLM
SCHEMBL14465961 0.81 LMNA (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL266417 0.79 LIPG (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL617128 0.78 LIPG (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL31734211 0.78 LIPG (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL4088533 0.77 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL9859793 0.76 LIPG (0.58) LMNAKMT2AMEN1THRBBLM
SCHEMBL5171915 0.76 LIPG (0.58) LMNAKMT2AMEN1THRBBLM
SCHEMBL20594223 0.76 LIPG (0.58) LMNAKMT2AMEN1THRBBLM

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-113710785-A Compound and detergent composition 联合利华知识产权控股有限公司 2021-11-26 CN disclosed