SCHEMBL28063998

SCHEMBL28063998

CC(C)c1cccc(C(C)C)c1-n1cc[nH]c1=N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GABRA1 P14867 3/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
GABRB2 P47870 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GABRB1 P18505 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRA5 P31644 1/20 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
SCHEMBL2243365 0.76 GABRA1 (0.41) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL16267050 0.70 GABRA1 (0.43) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL2798769 0.69 GABRA1 (0.39) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL28502131 0.68 GABRA1 (0.41) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL22320712 0.68 GABRA1 (0.41) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL16655509 0.68 DPP4 (0.45) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL29042594 0.68 GABRA1 (0.41) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL21723903 0.68 GABRA1 (0.41) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL1821813 0.68 GABRA1 (0.41) ALDH1A1MAPTL3MBTL1GABRA1GABRG2
SCHEMBL30976692 0.68 GABRA1 (0.41) ALDH1A1MAPTL3MBTL1GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105813742-A Metal-ligand complex, olefin polymerization catalyst derived therefrom, and olefin polymerization method utilizing the catalyst 陶氏环球技术有限责任公司 2016-07-27 CN disclosed
CN-102822180-B Metal Ligand Complexes and Catalysts 陶氏环球技术有限责任公司 2016-06-15 CN disclosed