SCHEMBL1121332

SCHEMBL1121332

Cc1cc(Cc2cc(Cc3cc(C)c(O)c(C)c3)cc(Cc3cc(C)c(O)c(C)c3)c2)cc(C)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.64
HMGB1 P09429 1/20 0.59
CXCL12 P48061 1/20 0.59
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ESR1 P03372 2/20 0.52
ESR2 Q92731 2/20 0.52
PTGS1 P23219 6/20 0.48
PTGS2 P35354 6/20 0.48
ALOX5 P09917 3/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL68876 0.97 SHBG (0.67) SHBGHMGB1CXCL12CA1CA2
Dimethylamine SCHEMBL11406775 0.92 SHBG (0.61) SHBGHMGB1CXCL12CA1CA2
SCHEMBL1176784 0.90 ESR1 (0.60) SHBGHMGB1CXCL12CA1CA2
SCHEMBL16351137 0.90 SHBG (0.59) SHBGHMGB1CXCL12CA1CA2
SCHEMBL2166973 0.89 ESR1 (0.54) SHBGHMGB1CXCL12CA1CA2
SCHEMBL10427465 0.87 SHBG (0.57) SHBGHMGB1CXCL12CA1CA2
SCHEMBL29941878 0.85 SHBG (0.73) SHBGHMGB1CXCL12CA1CA2
SCHEMBL30003132 0.85 SHBG (0.73) SHBGHMGB1CXCL12CA1CA2
SCHEMBL4057392 0.85 SHBG (0.67) SHBGHMGB1CXCL12CA1CA2
SCHEMBL7714483 0.85 SHBG (0.67) SHBGHMGB1CXCL12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161305-B1 Resin composition ASAHI KASEI CHEMICALS CORP (JP) 2012-07-11 EP disclosed
EP-1801160-B1 RESIN COMPOSITION ASAHI KASEI CHEMICALS CORP (JP) 2011-02-09 EP disclosed
EP-2161305-A2 Resin composition Asahi Kasei Chemicals Corporation (JP) 2010-03-10 EP disclosed
US-20070270530-A1 Resin Composition ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-11-22 US disclosed
EP-1801160-A1 RESIN COMPOSITION Asahi Kasei Chemicals Corporation (JP) 2007-06-27 EP disclosed