SCHEMBL5376004

SCHEMBL5376004

CN(C)c1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 7/20 0.42
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
KIF11 P52732 1/20 0.36
ALOX12 P18054 1/20 0.35
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 2/20 0.32
ALOX15 P16050 3/20 0.31
RBP4 P02753 1/20 0.31
CYP1A2 P05177 1/20 0.31
ATP2A2 P16615 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATP2A3 Q93084 1/20 0.31
HSD17B10 Q99714 2/20 0.30

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
SCHEMBL25491239 0.86 GABRA1 (0.52) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL26075741 0.81 GABRA1 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL24433687 0.80 CA2 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL25722706 0.77 TDP1 (0.40) CA2ALDH1A1TSHRTDP1KIF11
SCHEMBL26194035 0.77 CA2 (0.48) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL24605116 0.72 HSD17B10 (0.41) ALDH1A1TSHRTDP1KDM4EKMT2A
SCHEMBL29987688 0.72 ALDH1A1 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1201242 0.72 ALDH1A1 (0.46) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3696407 0.72
SCHEMBL25798864 0.72 GABRA1 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254247-A1 Radiation-sensitive resin composition YAMAMOTO MASAFUMI 2007-11-01 US disclosed
US-20070248911-A1 Pattern forming method and bilayer film IWASAWA HARUO 2007-10-25 US disclosed
US-7244549-B2 Pattern forming method and bilayer film JSR CORPORATION (JP) 2007-07-17 US disclosed
US-7005230-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-02-28 US disclosed
US-20040146802-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2004-07-29 US disclosed
US-20030073040-A1 Pattern forming method and bilayer film JSR CORPORATION (JP) 2003-04-17 US disclosed