SCHEMBL27690100

SCHEMBL27690100

CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1C(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
GAA P10253 2/20 0.62
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.51
CHRNA7 P36544 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
HTT P42858 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44

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
SCHEMBL9657743 0.88 TSHR (0.71) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL10461194 0.87 TSHR (0.65) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL10408563 0.86 TSHR (0.64) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL51072 0.85 TSHR (0.70) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL243559 0.85 TSHR (0.70) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL294975 0.85 TSHR (0.70) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL11220482 0.85 TSHR (0.62) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL11282679 0.85 TSHR (0.62) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL19720352 0.84 TSHR (0.68) TSHRGAAKMT2AMEN1CHRNA7
SCHEMBL10903629 0.83 TSHR (0.61) TSHRGAAKMT2AMEN1CHRNA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101125896-B Catalyst component used for olefin polymerization reaction and its catalyst CHINA PETROLEUM & CHEMICAL 2010-12-01 CN disclosed
CN-101125896-A Catalyst component used for olefin polymerization reaction and its catalyst CHINA PETROLEUM CHEMICAL HOLDI (CN) 2008-02-20 CN disclosed
CN-101125830-A Piperidines compounds for preparing olefin polymerization catalyst CHINA PETROLEUM CHEMICAL HOLDI (CN) 2008-02-20 CN disclosed