SCHEMBL7995066

SCHEMBL7995066

C=CC(C)c1cc(C(=C)C)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 4/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PTPN1 P18031 4/20 0.34
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
DBH P09172 1/20 0.33
RECQL P46063 1/20 0.33
XDH P47989 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7912415 0.82 HSP90AA1 (0.51) HSP90AA1HSP90AB1PTGS1PTGS2GAA
SCHEMBL10828136 0.81 PTGS2 (0.48) ELANEHSP90AA1HSP90AB1PTGS1PTGS2
SCHEMBL11667767 0.78 GABRA1 (0.41) PTGS2GAAKDM4ERECQLXDH
SCHEMBL12869644 0.78 CA1 (0.56) ELANEHSP90AA1HSP90AB1PTPN1GAA
SCHEMBL7910367 0.77 RORC (0.53) HSP90AA1HSP90AB1PTGS1PTGS2PTPN1
SCHEMBL11062180 0.77 LMNA (0.47) PTGS1GAAKDM4EXDHALDH1A1
SCHEMBL4622495 0.76 PTGS1 (0.67) ELANEPTGS1PTGS2KDM4ERECQL
SCHEMBL7909292 0.71 CA12 (0.50) PTGS2GAAKDM4EDBHRECQL
SCHEMBL4776336 0.71 LMNA (0.53) HSP90AA1HSP90AB1PTGS1GAAKDM4E
SCHEMBL10507496 0.70 GABRA1 (0.58) ELANEPTGS1KDM4ERECQLCA12

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-6150452-A PAPERMAKING BETZDEARBORN INC. (US) 2000-11-21 US disclosed
EP-0986670-A4 METHODS AND COMPOSITIONS FOR TREATING STICKIES BETZDEARBORN INC (US) 2000-08-23 EP disclosed
EP-0986670-A1 METHODS AND COMPOSITIONS FOR TREATING STICKIES BetzDearborn Inc (US) 2000-03-22 EP disclosed
WO-1998055692-A1 METHODS AND COMPOSITIONS FOR TREATING STICKIES BETZDEARBORN INC. (US) 1998-12-10 WO disclosed