SCHEMBL27675462

SCHEMBL27675462

Oc1cccc(C(c2cccc(O)c2)c2ccc(O)c(C3CCCCC3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.44
BACE1 P56817 1/20 0.44
HSP90AA1 P07900 1/20 0.44
SLC6A4 P31645 1/20 0.42
OPRM1 P35372 1/20 0.42
KDR P35968 1/20 0.42
SLC6A3 Q01959 1/20 0.42
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL761321 1.00 NUDT1 (0.44) NUDT1BACE1HSP90AA1SLC6A4OPRM1
SCHEMBL30899189 1.00 NUDT1 (0.44) NUDT1BACE1HSP90AA1SLC6A4OPRM1
SCHEMBL29376176 1.00 NUDT1 (0.44) NUDT1BACE1HSP90AA1SLC6A4OPRM1
SCHEMBL2861169 0.88 NUDT1 (0.47) NUDT1BACE1HSP90AA1OPRM1OPRD1
SCHEMBL29375732 0.86 NUDT1 (0.48) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL761682 0.86 NUDT1 (0.48) NUDT1BACE1HSP90AA1HDAC4HDAC2
SCHEMBL2201799 0.84 NUDT1 (0.49) NUDT1BACE1HSP90AA1POLB
SCHEMBL28899040 0.83 SLC6A4 (0.40) NUDT1BACE1HSP90AA1SLC6A4OPRM1
SCHEMBL30103811 0.83 SLC6A4 (0.40) NUDT1BACE1HSP90AA1SLC6A4OPRM1
SCHEMBL29484419 0.81 SLC6A4 (0.41) SLC6A4OPRM1KDRSLC6A3OPRD1

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-100365509-C Positive light sensitive resin composition QIMEI IND CO LTD (CN) 2008-01-30 CN disclosed