SCHEMBL21780290

SCHEMBL21780290

COCCNC(=O)c1ccc(C(N)=O)c(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
HPGD P15428 7/20 0.49
ALOX15 P16050 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.45
PKM P14618 1/20 0.44
PYGL P06737 1/20 0.44
GAA P10253 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
SCHEMBL17748297 0.91 MAPK1 (0.58) MAPK1HPGDALOX15CA12CA1
SCHEMBL14802012 0.83 MAPK1 (0.63) MAPK1HPGDALOX15POLBALDH1A1
SCHEMBL17748294 0.80 ALOX5 (0.68) MAPK1HPGDALOX15POLBALDH1A1
SCHEMBL9780990 0.79 LMNA (0.41) HPGDCA1CA2CA4CA9
SCHEMBL21780289 0.76 MAPK1 (0.45) MAPK1HPGDALOX15CA12CA1
SCHEMBL2317132 0.76 HPGD (0.66) HPGDALDH1A1HTTTP53KMT2A
SCHEMBL3077901 0.75 KMT2A (0.67) MAPK1HPGDPOLBALDH1A1GAA
SCHEMBL2546081 0.73 ALDH1A1 (0.68) MAPK1HPGDALOX15POLBALDH1A1
SCHEMBL30223440 0.73 ALDH1A1 (0.68) MAPK1HPGDALOX15POLBALDH1A1
SCHEMBL14316370 0.73 ESRRG (0.59) MAPK1HPGDALOX15ALDH1A1PKM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3218462-B1 DETERGENT AND CLEANING AGENTS HAVING IMPROVED PERFORMANCE HENKEL AG & CO KGAA (DE) 2020-03-04 EP disclosed