SCHEMBL8068020

SCHEMBL8068020

FC(F)(F)C[CH]CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CES1 P23141 5/20 0.39
GPR52 Q9Y2T5 3/20 0.39
FAAH O00519 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL205556 0.81 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL15111556 0.80 MAOB (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL5258086 0.77 SIGMAR1 (0.39) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL2915950 0.76 ALDH1A1 (0.42) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL364290 0.75 MAOB (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL364434 0.73 SIGMAR1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL363179 0.73 HTR2A (0.54) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1252996 0.73 TDP1 (0.54) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL2536149 0.73 TP53 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL144712 0.72 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1

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
EP-2256833-B1 Light emitting device encapsulated with radiation cured silicone resin. 3M INNOVATIVE PROPERTIES CO (US) 2013-04-03 EP claimed
US-6143360-A LOW DIELECTRIC CONSTANT FILMS, HYDROSILATING A HYDRIDOSILICON CONTAINING RESIN WITH A 1-ALKENE COMPRISING ABOUT 8 TO 28 CARBON ATOMS, DOW CORNING CORPORATION (US) 2000-11-07 US disclosed