SCHEMBL29508350

SCHEMBL29508350

CCC(CCOc1ccc(N)cc1)Oc1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
TSHR P16473 1/20 0.50
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NFE2L2 Q16236 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 2/20 0.38
CYP19A1 P11511 2/20 0.38
ESR2 Q92731 2/20 0.38
MEN1 O00255 1/20 0.38
APP P05067 3/20 0.37
LTA4H P09960 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 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
SCHEMBL29402081 0.92 TDP1 (0.54) TDP1TSHRRAB9ANPC1NFE2L2
SCHEMBL28612327 0.90 TDP1 (0.53) TDP1TSHRRAB9ANPC1NFE2L2
SCHEMBL10691424 0.83 TDP1 (0.52) TDP1TSHRRAB9ANPC1MAPT
SCHEMBL29780056 0.82 TDP1 (0.53) TDP1TSHRRAB9ANPC1MAPT
SCHEMBL23309811 0.80 TDP1 (0.67) TDP1TSHRRAB9ANPC1NFE2L2
SCHEMBL15328631 0.80 ALDH1A1 (0.46) MAPTALDH1A1KDM4E
SCHEMBL4992394 0.80 PRSS1 (0.60)
SCHEMBL30827057 0.79 TDP1 (0.51) TDP1TSHRRAB9ANPC1MAPT
SCHEMBL10870546 0.79 TDP1 (0.70) TDP1TSHRRAB9ANPC1NFE2L2
SCHEMBL12476439 0.79 TDP1 (0.70) TDP1TSHRRAB9ANPC1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114868076-A Radical generating film forming composition, radical generating film, and method for producing horizontal electric field liquid crystal cell 日产化学株式会社 2022-08-05 CN disclosed
CN-114846397-A Method for manufacturing patterned liquid crystal display element 日产化学株式会社 2022-08-02 CN disclosed
CN-114830024-A Liquid crystal alignment film, radical generating film, and method for manufacturing horizontal electric field liquid crystal cell 日产化学株式会社 2022-07-29 CN disclosed
CN-114174907-A Transverse electric field liquid crystal display element and method for manufacturing transverse electric field liquid crystal cell 日产化学株式会社 2022-03-11 CN disclosed