SCHEMBL10532849

SCHEMBL10532849

COc1ccc(Cn2ccc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ HSP90AA1 P07900 4/20 0.46
▸ HSP90AB1 P08238 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ PRMT5 O14744 2/20 0.43
▸ WDR77 Q9BQA1 2/20 0.43
▸ CACNA1G O43497 3/20 0.42
▸ CACNA1H O95180 3/20 0.42
▸ CACNA1I Q9P0X4 3/20 0.42
▸ ALOX5 P09917 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL10532871 0.78 ALOX5 (0.44) HSP90AA1ALDH1A1HTTNPSR1CA1
SCHEMBL4307777 0.77 CACNA1G (0.54) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL10655279 0.76 CA2 (0.44) HSP90AA1ALDH1A1HTTNPSR1CA1
SCHEMBL29033977 0.72 KDM1A (0.53) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL30502860 0.72 KDM1A (0.53) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL10653040 0.72 MAPT (0.44) ALDH1A1HTTNPSR1CA1CA2
SCHEMBL30502867 0.71 KDM1A (0.54) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL29033973 0.71 KDM1A (0.54) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL10656863 0.71 CA1 (0.37) HDAC1HDAC2HDAC8HDAC6HDAC5
SCHEMBL8849761 0.71 CA2 (0.66) HDAC2HDAC8ALDH1A1CA1CA2

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
US-4808620-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIALLERGENS, ANTIARTHRITIC, ANTIRHEUMATIC AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-02-28 — — US disclosed
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