SCHEMBL15044147

SCHEMBL15044147

COc1cc(C(=O)CO)cc(C)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
LMNA P02545 1/20 0.50
PTGS2 P35354 1/20 0.47
KMT2A Q03164 8/20 0.44
MEN1 O00255 7/20 0.44
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
EGFR P00533 1/20 0.43
GAA P10253 3/20 0.42

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
SCHEMBL1260982 0.89 PKM (0.62) PKMCA12CA1CA2CA3
SCHEMBL19398373 0.87 PKM (0.47) PKMCA12CA1CA2CA3
SCHEMBL19398376 0.86 PKM (0.50) PKMCA12CA1CA2CA3
SCHEMBL16233180 0.83 KMT2A (0.51) CA1CA2KMT2AMEN1ALDH1A1
SCHEMBL12396894 0.80 LMNA (0.78) PKMCA12CA1CA2CA3
SCHEMBL3230514 0.80 CA12 (0.78) PKMCA12CA1CA2CA3
SCHEMBL15242142 0.79 CA1 (0.53) PKMCA12CA1CA2CA3
SCHEMBL402146 0.79 KDM4E (0.55) PKMCA12CA1CA2CA3
SCHEMBL10483795 0.78 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL15112867 0.78 KMT2A (0.44) CA12CA1CA2CA3CA4

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
US-9394555-B2 Compositions comprising a polypeptide having cellulolytic enhancing activity and a dioxy compound and uses thereof NOVOZYMES, INC. (US) 2016-07-19 US disclosed
US-20130157317-A1 Compositions Comprising A Polypeptide Having Cellulolytic Enhancing Activity And A Dioxy Compound And Uses Thereof NOVOZYMES, INC. (US) 2013-06-20 US disclosed