SCHEMBL27632289

SCHEMBL27632289

CC(C)c1cc(O)c(C2CCCCC2)cc1Cc1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.40
▸ NUDT1 P36639 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ HSP90AA1 P07900 3/20 0.35
▸ ESRRA P11474 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ HSP90AB1 P08238 3/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32

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
SCHEMBL27560096 0.83 HSPA5 (0.44) HSPA5GPR55NUDT1BACE1HRH3
SCHEMBL27632291 0.82 HSPA5 (0.43) HSPA5GPR55NUDT1BACE1HRH3
SCHEMBL27602378 0.80 HSPA5 (0.44) HSPA5GPR55NUDT1BACE1HRH3
SCHEMBL27870516 0.79 NUDT1 (0.45) HSPA5NUDT1BACE1HRH3HSP90AA1
SCHEMBL3272159 0.77 GABRA1 (0.46) NUDT1BACE1GABRA1GABRB2HSP90AA1
SCHEMBL3270518 0.74 NUDT1 (0.58) HSPA5NUDT1BACE1HSP90AA1KEAP1
SCHEMBL27613254 0.74 HSPA5 (0.47) HSPA5NUDT1BACE1HRH3HSP90AA1
SCHEMBL29493115 0.74 HSPA5 (0.50) HSPA5NUDT1BACE1HRH3KEAP1
SCHEMBL27584479 0.74 HSPA5 (0.50) HSPA5NUDT1BACE1HRH3KEAP1
SCHEMBL13588061 0.72 HTR2A (0.43) HSPA5LMNANPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100510960-C Positive resist composition and compound used therein TOKYO OHKA KOGYO CO LTD (JP) 2009-07-08 — — CN disclosed
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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