SCHEMBL8655780

SCHEMBL8655780

CC(C)c1cc(C(=O)c2ccc(O)c(C(C)C)c2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.62
HSP90AB1 P08238 4/20 0.62
PTGS1 P23219 2/20 0.62
PTGS2 P35354 2/20 0.62
GABRA1 P14867 2/20 0.55
GABRB1 P18505 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
THRB P10828 3/20 0.47
KDM4E B2RXH2 1/20 0.47
DBH P09172 1/20 0.47
GAA P10253 1/20 0.47
RECQL P46063 1/20 0.47
SIRT1 Q96EB6 1/20 0.46
THRA P10827 2/20 0.45
GABRB2 P47870 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL11439298 0.91 HSP90AA1 (0.54) HSP90AA1HSP90AB1PTGS1PTGS2GABRA1
SCHEMBL383610 0.86 HSP90AA1 (0.60) HSP90AA1HSP90AB1PTGS1PTGS2GABRA1
SCHEMBL385514 0.86 HSP90AA1 (0.60) HSP90AA1HSP90AB1PTGS1PTGS2GABRA1
SCHEMBL15315482 0.83 GABRA1 (0.53) HSP90AA1HSP90AB1PTGS1PTGS2GABRA1
SCHEMBL9556908 0.82 HSP90AA1 (0.57) HSP90AA1HSP90AB1PTGS1PTGS2GABRA1
SCHEMBL24603706 0.81 HSP90AA1 (0.69) HSP90AA1HSP90AB1PTGS1PTGS2GABRA1
SCHEMBL10368169 0.81 CA12 (0.65) HSP90AA1HSP90AB1THRBKDM4EGAA
SCHEMBL2853377 0.81 HSP90AB1 (0.64) HSP90AA1HSP90AB1PTGS1PTGS2GABRA1
SCHEMBL27959819 0.81 HSP90AA1 (0.64) HSP90AA1HSP90AB1PTGS1PTGS2GABRA1
SCHEMBL10428372 0.81 HPGD (0.54) HSP90AA1HSP90AB1PTGS1PTGS2KDM4E

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
EP-0566423-B1 Electrophotographic photoconductor MITSUBISHI CHEM CORP (JP) 1998-10-21 EP disclosed
US-5378567-A 4-4*-dihydroxybenzophenone and p,p*-dihydroxydiphenylmethane derivatives as monomers; durability; wear resistance MITSUBISHI KASEI CORPORATION (JP) 1995-01-03 US disclosed
EP-0566423-A1 Electrophotographic photoconductor Mitsubishi Chemical Corporation (JP) 1993-10-20 EP disclosed