SCHEMBL8081709

SCHEMBL8081709

CCC(C)(C)c1ccc(O)c(C(=O)OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PTGS2 P35354 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
EGFR P00533 3/20 0.45
NOX4 Q9NPH5 1/20 0.45
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MDH1 P40925 1/20 0.41

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
SCHEMBL1223543 0.86 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL13898640 0.86 EGFR (0.49) CA12CA1CA2CA7CA9
SCHEMBL1223546 0.84 CNR1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL648753 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL29637890 0.83 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL20556407 0.83 CNR1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL13609957 0.82 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL5885401 0.82 HSP90AA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL13898693 0.82 HSP90AA1 (0.50) HSP90AA1HSP90AB1LMNAGAATDP1
SCHEMBL10411424 0.80 CNR1 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498116-B2 Resist composition and pattern formation method using the same FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-7498116-B2 Resist composition and pattern formation method using the same FUJIFILM CORPORATION (JP) 2009-03-03 US disclosed
US-20080241750-A1 RESIST COMPOSITION AND PATTERN FORMATION METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
US-20080241750-A1 RESIST COMPOSITION AND PATTERN FORMATION METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
EP-0799198-B1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2000-08-30 EP disclosed
EP-0799198-A4 1997-10-15 EP disclosed
EP-0799198-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-08 EP disclosed
US-5545669-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORPORATION 1996-08-13 US disclosed
WO-1995033461-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
WO-1995033460-A1 ANTI-INFLAMMATORY COUMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5447957-A Anti-inflammatory compounds SMITHKLINE BEECHAM CORP. (US) 1995-09-05 US disclosed