SCHEMBL28113973

SCHEMBL28113973

NCc1cc(O)c(Cc2ccc(O)cc2)cc1C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ MAPT P10636 2/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABAT P80404 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ ESR1 P03372 6/20 0.35
▸ ESR2 Q92731 5/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL27548577 0.89 NUDT1 (0.51) NUDT1BACE1MAPTKEAP1MEN1
SCHEMBL27584472 0.82 NUDT1 (0.43) NUDT1BACE1MAPTKEAP1MEN1
SCHEMBL27522139 0.77 NUDT1 (0.53) NUDT1BACE1MAPTHSP90AA1CYP2D6
SCHEMBL27513048 0.77 NUDT1 (0.46) NUDT1BACE1MAPTKEAP1MEN1
SCHEMBL27615395 0.75 NUDT1 (0.45) NUDT1BACE1ESR1ESR2
SCHEMBL27596797 0.74 ACMSD (0.48) NUDT1BACE1KEAP1ESR1ESR2
SCHEMBL1484716 0.74 NUDT1 (0.41) NUDT1BACE1MAPTMEN1KMT2A
SCHEMBL1256559 0.74 KEAP1 (0.51) NUDT1BACE1KEAP1ALOX5ESR1
SCHEMBL27936312 0.74 NUDT1 (0.63) NUDT1BACE1ESR1ESR2NPC1
SCHEMBL4061548 0.73 NUDT1 (0.44) NUDT1BACE1MAPTKEAP1MEN1

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-106154750-A Photosensitive polysiloxane composition, protective film and element with protective film 奇美实业股份有限公司 2016-11-23 — — CN disclosed
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