SCHEMBL28080856

SCHEMBL28080856

F[B-](F)(F)F.O=C(CP(C1CCCCC1)C1CCCCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KMT2A Q03164 6/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CES1 P23141 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GFER P55789 1/20 0.38
HSD11B1 P28845 1/20 0.38
HCRTR1 O43613 1/20 0.38

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
Ethylene SCHEMBL28200918 0.97 KDM4E (0.39) KDM4ESMN1; SMN2GAARAB9AHTT
SCHEMBL28059164 0.94 KDM4E (0.44) KDM4ESMN1; SMN2GAARAB9AHTT
SCHEMBL28796602 0.76 GPR52 (0.41) KDM4ESMN1; SMN2GAARAB9AKMT2A
SCHEMBL27455317 0.72 EPHX2 (0.37) KDM4ESMN1; SMN2RAB9AKMT2AHPGD
SCHEMBL6061540 0.68 ALDH1A1 (0.36) KDM4ESMN1; SMN2RAB9AMAPTCYP3A4
SCHEMBL1278317 0.68 EPHX2 (0.57) KDM4ESMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL28595923 0.68 EPHX2 (0.57) KDM4ESMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL2438485 0.68 EPHX2 (0.57) KDM4ESMN1; SMN2RAB9AKMT2AMAPT
SCHEMBL20955841 0.68 MCL1 (0.43) KDM4ESMN1; SMN2GAARAB9AHPGD
SCHEMBL7094216 0.68 EPHX2 (0.57) KDM4ESMN1; SMN2RAB9AKMT2AMAPT

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
CN-106008573-A Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2016-10-12 CN disclosed
CN-102417477-B Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2016-06-29 CN disclosed