SCHEMBL9004707

SCHEMBL9004707

CC(C)c1cc(C(C)C)c([N+](=O)[O-])c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.45
FABP3 P05413 2/20 0.45
FABP5 Q01469 1/20 0.44
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PDK1 Q15118 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 4/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL11313255 0.88 FABP3 (0.40) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL11800210 0.78 TSHR (0.39) PDK1MAPTMAPK1NPC1CASP3
SCHEMBL9004701 0.78 PDK1 (0.37) PDK1MAPTMAPK1NPC1CASP3
SCHEMBL26454207 0.77 EIF4A3 (0.38) GABRA1GABRB2MAPTMAPK1NPC1
SCHEMBL18983671 0.76 TDP1 (0.52) GABRA1GABRB2MAPTMEN1KMT2A
SCHEMBL11796665 0.75 PDK1 (0.41) PDK1MAPTTSHRALDH1A1TDP1
SCHEMBL26521898 0.75 GABRA1 (0.53) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL6234170 0.74 PDK1 (0.44) FABP4FABP3PDK1MAPTMAPK1
SCHEMBL8250738 0.73 CYP19A1 (0.54) MEN1KMT2ATSHRALDH1A1TDP1
SCHEMBL11579141 0.73 TSHR (0.50) MAPTMEN1KMT2ATSHRALDH1A1

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-20160291461-A1 PATTERN FORMING METHOD, ELECTRONIC DEVICE MANUFACTURING METHOD, ELECTRONIC DEVICE, BLOCK COPOLYMER AND BLOCK COPOLYMER PRODUCTION METHOD FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed
US-20160291461-A1 PATTERN FORMING METHOD, ELECTRONIC DEVICE MANUFACTURING METHOD, ELECTRONIC DEVICE, BLOCK COPOLYMER AND BLOCK COPOLYMER PRODUCTION METHOD FUJIFILM CORPORATION (JP) 2016-10-06 US disclosed
US-20120322007-A1 PATTERN FORMING METHOD, CHEMICAL AMPLIFICATION RESIST COMPOSITION AND RESIST FILM FUJIFILM CORPORATION (JP) 2012-12-20 US disclosed
EP-0575852-B1 Process for preparing dinitro-polyalkyl-benzenes BAYER AG (DE) 1996-10-09 EP disclosed
US-5367108-A Process for the preparation of dinitro-polyalkylbenzenes BAYER AKTIENGESELLSCHAFT (DE) 1994-11-22 US disclosed
EP-0575852-A1 Process for preparing dinitro-polyalkyl-benzenes BAYER AG (DE) 1993-12-29 EP disclosed