SCHEMBL6300660

SCHEMBL6300660

CCCCCCCCCCCCCCCC(CC(=O)OC(=O)CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.37
GAA P10253 2/20 0.36
XBP1 P17861 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
F2R P25116 1/20 0.35
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
KMT2A Q03164 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
HMGCR P04035 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL6897179 0.93 PPARA (0.34) VCAM1
SCHEMBL14151885 0.88 GAA (0.38) VCAM1GAAXBP1ATMNPSR1
SCHEMBL9429923 0.87 ESR1 (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL22749430 0.87 ESR1 (0.41) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL28658539 0.87 GAA (0.37) VCAM1GAAXBP1ATMNPSR1
SCHEMBL3338859 0.85 GAA (0.38) VCAM1GAAXBP1ATMNPSR1
SCHEMBL284124 0.85 GPR84 (0.43) VCAM1F2RLMNARECQLNR5A2
SCHEMBL76094 0.85 GPR84 (0.43) VCAM1F2RLMNARECQLNR5A2
SCHEMBL17491247 0.85 GPR84 (0.43) VCAM1F2RLMNARECQLNR5A2
SCHEMBL17491252 0.85 GPR84 (0.43) VCAM1F2RLMNARECQLNR5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930153-B2 Production of maleic anhydride modified butyl rubber and use thereof THE YOKOHAMA RUBBER CO., LTD. (JP) 2005-08-16 US disclosed
US-20040010089-A1 Production of maleic anhydride modified butyl rubber and use thereof YOKOHAMA RUBBER CO., LTD., THE (JP) 2004-01-15 US disclosed
US-6669885-B2 Extruding an aluminum- containing olefin polymer containing phenolic stabilizer and a phosphoric stabilizer MITSUI CHEMICALS, INC. (JP) 2003-12-30 US disclosed
EP-0970796-A1 Process for manufacturing an extruded article and an extruded article Mitsui Chemicals, Inc. (JP) 2000-01-12 EP disclosed