SCHEMBL28278535

SCHEMBL28278535

NCc1cc(O)c(C2CCCCC2)cc1C(c1ccccc1O)c1cc(C2CCCCC2)c(O)cc1CN

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 1/20 0.43
▸ BACE1 P56817 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.35
▸ HDAC4 P56524 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ PABPC1 P11940 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 1/20 0.30
▸ OPRL1 P41146 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL3272460 0.88 NUDT1 (0.38) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL3275606 0.85 NUDT1 (0.39) NUDT1BACE1HSP90AA1TSHR
SCHEMBL28269345 0.82 NUDT1 (0.43) NUDT1BACE1HSP90AA1PABPC1TSHR
SCHEMBL28248490 0.81 NUDT1 (0.40) NUDT1BACE1HSP90AA1OPRM1OPRD1
SCHEMBL757158 0.80 NUDT1 (0.37) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL30127784 0.80 NUDT1 (0.37) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL29375612 0.80 NUDT1 (0.37) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL3272159 0.80 GABRA1 (0.46) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL27870516 0.76 NUDT1 (0.45) NUDT1BACE1HSP90AA1HDAC4HDAC2
Ethane SCHEMBL28105966 0.75 NUDT1 (0.44) NUDT1BACE1HSP90AA1HDAC4HDAC2

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-109426073-A Positive photosensitive resin composition and application thereof 奇美实业股份有限公司 2019-03-05 — — CN disclosed
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