SCHEMBL6847996

SCHEMBL6847996

CC(C)(C)c1cc(C(=O)O)ccc1O.Cc1cc(C(C)(C)C)c(C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.57
RARG P13631 2/20 0.57
RARA P10276 1/20 0.55
HSP90AA1 P07900 6/20 0.49
HSP90AB1 P08238 6/20 0.49
POLB P06746 3/20 0.44
CA2 P00918 2/20 0.44
ESRRA P11474 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
PTGS2 P35354 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL384263 0.87 RARB (0.71) RARBRARGRARAHSP90AA1HSP90AB1
SCHEMBL29654169 0.87 RARB (0.71) RARBRARGRARAHSP90AA1HSP90AB1
Terephthalic Acid SCHEMBL27615418 0.84 RARB (0.60) RARBRARGRARAHSP90AA1HSP90AB1
Terephthalic Acid SCHEMBL7766110 0.84 RARB (0.60) RARBRARGRARAHSP90AA1HSP90AB1
SCHEMBL2582866 0.77 POLB (0.59) RARBRARGRARAHSP90AA1HSP90AB1
SCHEMBL8772445 0.76 ALDH1A1 (0.61) RARBRARGRARAHSP90AA1HSP90AB1
SCHEMBL4250217 0.76 RARB (0.57) RARBRARGRARAHSP90AA1HSP90AB1
SCHEMBL10428611 0.74 SIRT1 (0.56) RARBRARGRARAHSP90AA1HSP90AB1
E319 SCHEMBL10904762 0.74 TYR (0.69) RARBRARGRARAHSP90AA1HSP90AB1
SCHEMBL1730526 0.73 ESRRA (0.68) RARBRARGRARAHSP90AA1HSP90AB1

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
CN-1250605-C Polycarbonates with significant shear thinning behavior BAYER AG (DE) 2006-04-12 CN disclosed
US-6770731-B2 MELT POLYMERIZED BRANCHED POLYCARBONATE WITH NON-NEWTONIAN FLOW BEHAVIOR: GOOD FLOWABILITY AT HIGH SHEAR RATES, AND IS NOT LESS FLOWABLE THAN UNBRANCHED POLYCARBONATE AT LOW SHEAR RATES BAYER AKTIENGESELLSCHAFT (DE) 2004-08-03 US disclosed
US-20030013839-A1 Polycarbonate having pronounced shear thinning behavior BAYER AKTIENGESELLSCHAFT (DE) 2003-01-16 US disclosed