SCHEMBL30320299

SCHEMBL30320299

Cc1cc(O)c(C2CCCCC2)cc1C(C)(C)c1cccc(C(C)(C)c2cc(C3CCCCC3)c(O)cc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.37
ESR2 Q92731 2/20 0.37
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PTPN5 P54829 4/20 0.36
PTPN2 P17706 1/20 0.36
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 1/20 0.32
ACMSD Q8TDX5 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL278349 1.00 ESR1 (0.37) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL29623208 1.00 ESR1 (0.37) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL8656679 0.92 ESR1 (0.38) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL29623065 0.90 ESR1 (0.39) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL278477 0.90 ESR1 (0.39) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL30320264 0.90 ESR1 (0.39) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL30104451 0.87 NUDT1 (0.39) ESR1NUDT1BACE1HSP90AA1CNR1
SCHEMBL278354 0.86 ESR1 (0.40) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL29623048 0.86 ESR1 (0.40) ESR1ESR2NUDT1BACE1HSP90AA1
SCHEMBL15625210 0.86 NUDT1 (0.36) ESR1NUDT1BACE1HSP90AA1PTPN5

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-106933034-B Positive photoresist composition 东京应化工业株式会社 2023-01-06 CN disclosed