SCHEMBL6559923

SCHEMBL6559923

COc1cccc(OC)c1C(=O)[CH]C(C)CC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.38
TNFRSF1A P19438 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
KDM4E B2RXH2 1/20 0.37
AURKA O14965 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFE2L2 Q16236 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5789698 0.83 KMT2A (0.43) KDM4EKMT2AALDH1A1NFE2L2SMN1; SMN2
SCHEMBL28124929 0.77 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL27584937 0.75 CA12 (0.44) CA12CA1CA2CA7CA9
Phosphine SCHEMBL21980905 0.75 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL134376 0.75 CA12 (0.46) CA12CA1CA2CA7CA9
Phosphine SCHEMBL18954422 0.74 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL5170733 0.74 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL28784079 0.73 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL28330537 0.73 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL245554 0.73 CA12 (0.41) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397444-A1 STRIPPABLE COATING SYSTEM ECOLAB INC. (US) 2004-03-17 EP disclosed
WO-2002085991-A1 STRIPPABLE COATING SYSTEM ECOLAB INC. (US) 2002-10-31 WO disclosed