SCHEMBL27613254

SCHEMBL27613254

Oc1ccc(Cc2ccccc2O)c(C2CCCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.47
▸ KEAP1 Q14145 1/20 0.44
▸ ALOX5 P09917 2/20 0.41
▸ NUDT1 P36639 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL27584479 0.79 HSPA5 (0.50) HSPA5KEAP1NUDT1BACE1PTGDR2
SCHEMBL29493115 0.79 HSPA5 (0.50) HSPA5KEAP1NUDT1BACE1PTGDR2
SCHEMBL11763355 0.78 NUDT1 (0.41) NUDT1BACE1PTGDR2HSP90AA1ESR1
SCHEMBL27560096 0.77 HSPA5 (0.44) HSPA5KEAP1NUDT1BACE1HDAC4
SCHEMBL27602378 0.77 HSPA5 (0.44) HSPA5KEAP1NUDT1BACE1HDAC4
SCHEMBL3270518 0.77 NUDT1 (0.58) HSPA5KEAP1ALOX5NUDT1BACE1
SCHEMBL27870516 0.76 NUDT1 (0.45) HSPA5KEAP1NUDT1BACE1PTGDR2
SCHEMBL27632291 0.76 HSPA5 (0.43) HSPA5KEAP1NUDT1BACE1PTGDR2
SCHEMBL9638052 0.76 HSPA5 (0.46) HSPA5KEAP1NUDT1BACE1PTGDR2
SCHEMBL27596781 0.76 HSPA5 (0.50) HSPA5KEAP1NUDT1BACE1HDAC4

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-1704846-A Positive resist composition and compound used therein TOKYO OHKA KOGYO CO LTD (JP) 2005-12-07 — — CN disclosed
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