SCHEMBL2230627

SCHEMBL2230627

CC(C)(C)OC(=O)OOCCCCCCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
ACHE P22303 6/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
GAA P10253 1/20 0.33
GPR84 Q9NQS5 1/20 0.30
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL6442581 0.85 NAAA (0.41) HDAC1HDAC2HDAC6
SCHEMBL6009266 0.82 HDAC6 (0.36) TDP1HDAC1HDAC2HDAC6CA12
1,6-Hexanediol SCHEMBL468690 0.81 TDP1 (0.50) TDP1HDAC1HDAC2HDAC6CYP4F2
SCHEMBL9601113 0.79 TDP1 (0.47) TDP1HDAC1HDAC2HDAC6CYP4F2
SCHEMBL10696486 0.78 HDAC1 (0.36) HDAC1HDAC2HDAC6
SCHEMBL19410116 0.78 MEN1 (0.41) TDP1HDAC1HDAC2HDAC6
SCHEMBL25285653 0.76 HDAC6 (0.33) HDAC1HDAC2HDAC6CA12CA1
SCHEMBL739320 0.76 HDAC6 (0.33) HDAC1HDAC2HDAC6CA12CA2
SCHEMBL27831760 0.75 NAAA (0.39) HDAC1HDAC2HDAC6
SCHEMBL30494324 0.74 ACHE (0.39) TDP1CYP4F2CYP4A11ACHEGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977417-B2 Silicone rubber composition for extrusion molding SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-07-12 US disclosed
US-20100080999-A1 SILICONE RUBBER COMPOSITION FOR EXTRUSION MOLDING SHIN -ETSU CHEMICAL CO., LTD. (JP) 2010-04-01 US disclosed
US-20080064811-A1 SILICONE RUBBER COMPOSITION FOR EXTRUSION MOLDING SHIN -ETSU CHEMICAL CO., LTD. (JP) 2008-03-13 US disclosed