SCHEMBL9696028

SCHEMBL9696028

CC(C)C(=O)Oc1cc(C(=O)CN(C)C(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.42
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SRC P12931 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37

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
SCHEMBL9696037 0.89 ALOX15 (0.40) EGFRALDH1A1NPC1RAB9ACA12
SCHEMBL10603957 0.87 EGFR (0.53) EGFRHPGDALDH1A1MAPTSRC
SCHEMBL9696955 0.85 MAPT (0.44) EGFRHPGDALDH1A1MAPTSRC
SCHEMBL9696975 0.85 ADRB2 (0.41) EGFRHPGDALDH1A1MAPTNPC1
SCHEMBL9694877 0.84 HPGD (0.37) EGFRHPGDALDH1A1MAPTNPC1
SCHEMBL9696041 0.84 MAPT (0.41) EGFRHPGDALDH1A1MAPTNPC1
SCHEMBL9695943 0.84 ELANE (0.47) EGFRHPGDALDH1A1MAPTNPC1
SCHEMBL9696537 0.84 MAPT (0.41) EGFRHPGDALDH1A1MAPTNPC1
SCHEMBL9696523 0.84 MAPT (0.42) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL8559873 0.84 EGFR (0.48) EGFRHPGDALDH1A1MAPTSRC

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
US-5144059-A CATECHOLAMINE ESTERS SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) 1992-09-01 US disclosed