SCHEMBL3679575

SCHEMBL3679575

C=Cc1ccc(Br)cc1CCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 5/20 0.34
LMNA P02545 3/20 0.34
TLR8 Q9NR97 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 2/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 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
SCHEMBL17376732 0.83 ERN1 (0.42) TYRSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL3866253 0.82 HPGD (0.37) SMN1; SMN2GAAHTTLMNAMEN1
SCHEMBL12802098 0.81 THRA (0.44) NPC1RAB9AHTTTLR8MEN1
SCHEMBL10426037 0.81 TYR (0.37) TYRHTTTLR8MEN1KMT2A
SCHEMBL3626784 0.81 TLR7 (0.40) TYRSMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL28780014 0.79 THRB (0.39) TYRTLR8MEN1KMT2ATHRA
SCHEMBL5377189 0.79 TYR (0.56) TYRGAAHTTLMNAADORA3
SCHEMBL30102586 0.79 TYR (0.39) TYRNPC1RAB9AHTTTLR8
SCHEMBL28159434 0.77 THRB (0.37) TYRTLR8MEN1KMT2ATHRA
SCHEMBL11839682 0.76 CA12 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956123-A REACTING A STYRENE TYPE COMPOUND WITH A DIHALOACYL PEROXIDE TO MAKE A FLUOROALKYLAROMATIC ESTER NIPPON OILS & FATS COMPANY, LTD. (JP) 1990-09-11 US claimed
US-20100279204-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL TYPE FUEL CELL & PRODUCTION METHOD THEREOF TOKUYAMA CORPORATION (JP) 2010-11-04 US disclosed
EP-2226875-A1 DIAPHRAGM FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-09-08 EP disclosed