SCHEMBL458858

SCHEMBL458858

CCCCc1ccc(Br)c(CCCC)c1CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.41
CTRC Q99895 1/20 0.38
SKP2 Q13309 1/20 0.36
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
CA2 P00918 1/20 0.32

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
Phosphine SCHEMBL9170062 0.98 TYR (0.40) TYRCTRCSKP2HTTNPC1
SCHEMBL30044969 0.87 TYR (0.50) TYRCTRCSKP2HTTNPC1
SCHEMBL4633219 0.87 TYR (0.50) TYRCTRCSKP2HTTNPC1
SCHEMBL28277298 0.83 ALDH1A1 (0.36) HPGD
SCHEMBL28757885 0.80 ALOX5 (0.41) TYRCYP3A4ALOX5LIPG
SCHEMBL1133572 0.80 TYR (0.53) TYRCTRCHTTMEN1TP53
SCHEMBL31230428 0.80 TYR (0.53) TYRCTRCHTTMEN1TP53
Ammonia Solution, Strong SCHEMBL8635010 0.79 TYR (0.41) TYRCTRCSKP2HTTNPC1
SCHEMBL6560504 0.78 TYR (0.44) TYRCTRCSKP2HTTNPC1
SCHEMBL11337178 0.78 TYR (0.57) TYRHTTMEN1TP53CYP3A4

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
CN-101666976-B Chemically-amplified positive resist composition and patterning process thereof SHINETSU CHEMICAL CO 2014-08-06 CN disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed
CN-101041773-B Organic photoelectric polymer and use thereof ETERNAL CHEMICAL INDUSTRY CO LTD 2010-06-16 CN disclosed
CN-101666976-A Chemically-amplified positive resist composition and patterning process thereof SHINETSU CHEMICAL CO 2010-03-10 CN disclosed
CN-101041773-A Organic photoelectric polymer and use thereof ETERNAL CHEMICAL INDUSTRY CO LTD (CN) 2007-09-26 CN disclosed