SCHEMBL28295627

SCHEMBL28295627

CCO[SiH2]OCC.Cc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.41
ENPP1 P22413 1/20 0.41
HTR7 P34969 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
ESR2 Q92731 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CYP2A6 P11509 1/20 0.37
CYP2B6 P20813 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
SCHEMBL28644369 0.88 ADRB2 (0.40) HTR7RAB9ASMN1; SMN2ALDH1A1HPGD
Biphenyl SCHEMBL34936 0.82 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
Biphenyl SCHEMBL27419458 0.80 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL29706107 0.79 ESR2 (0.54) ENPP3ENPP1HTR7NPC1RAB9A
SCHEMBL616 0.79 ESR2 (0.54) ENPP3ENPP1HTR7NPC1RAB9A
SCHEMBL28295641 0.79 ENPP3 (0.44) ENPP3ENPP1HTR7NPC1RAB9A
Bromide SCHEMBL1925857 0.77 ESR2 (0.52) ENPP3ENPP1HTR7NPC1RAB9A
Biphenyl SCHEMBL4603527 0.77 ESR2 (0.52) ENPP3ENPP1HTR7NPC1RAB9A
Ammonia Solution, Strong SCHEMBL19032131 0.77 ESR2 (0.52) ENPP3ENPP1HTR7NPC1RAB9A
Biphenyl SCHEMBL4733975 0.77 ESR2 (0.52) ENPP3ENPP1HTR7NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109716544-A LED Encapulant composition 日产化学株式会社 2019-05-03 CN disclosed