SCHEMBL29033557

SCHEMBL29033557

CC1C(OC(=O)c2ccccc2)CCN(C)C1(C)C.CCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ABCB1 P08183 2/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 2/20 0.36
KCNH2 Q12809 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
NAAA Q02083 2/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
BCHE P06276 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL22654966 0.83 GAA (0.70) GAAABCB1KMT2AMEN1TSHR
Benzene SCHEMBL29017041 0.82 GAA (0.55) GAAABCB1KMT2AMEN1TSHR
SCHEMBL28075086 0.81 GAA (0.61) GAAABCB1KMT2AMEN1TSHR
SCHEMBL10338115 0.80 MEN1 (0.51) GAAKMT2AMEN1CARM1PRMT6
SCHEMBL29093548 0.80 NAAA (0.37) TSHRNAAA
Water SCHEMBL28999761 0.79 MEN1 (0.50) GAAKMT2AMEN1CARM1PRMT6
SCHEMBL28986889 0.78 NAAA (0.46) NAAA
Benzene SCHEMBL29000715 0.77 GAA (0.48) GAAKMT2AMEN1TSHRCARM1
SCHEMBL3328223 0.77 NAAA (0.48) NAAA
SCHEMBL9479699 0.77 NAAA (0.48) NAAA

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-112969758-B Aromatic polycarbonate resin composition 三菱工程塑料株式会社 2023-06-13 CN disclosed