SCHEMBL27917852

SCHEMBL27917852

CC(C)CCOC(=O)CC=N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
TDP1 Q9NUW8 2/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
LMNA P02545 1/20 0.36
MAPK1 P28482 2/20 0.36
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
EPHX2 P34913 1/20 0.34
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PPARG P37231 1/20 0.33
ALOX15 P16050 1/20 0.33
CHRNB2 P17787 2/20 0.32

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
SCHEMBL27917847 0.85 CHRNB2 (0.34) CYP19A1TDP1ALOX15CHRNB2CHRNA4
SCHEMBL28072172 0.82 CYP19A1 (0.45) CYP19A1TDP1CA12CA1CA2
SCHEMBL27917837 0.81 CYP19A1 (0.41) CYP19A1TDP1CA12CA1CA2
SCHEMBL8462926 0.80 TDP1 (0.54) CYP19A1TDP1CA12CA1CA2
SCHEMBL28424615 0.78 CYP19A1 (0.42) CYP19A1TDP1CA12CA1CA2
SCHEMBL27900158 0.78 CYP19A1 (0.40) CYP19A1TDP1CA12CA1CA2
SCHEMBL17219824 0.77
SCHEMBL4673050 0.77 CYP19A1 (0.47) CYP19A1TDP1CA12CA1CA2
SCHEMBL2267201 0.76 CYP19A1 (0.50) CYP19A1TDP1CA12CA1CA2
SCHEMBL333015 0.76 ADRA2A (0.50) CYP19A1TDP1CA12CA1CA2

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
CN-103080160-A Resin composition, and semiconductor device produced using resin composition SUMITOMO BAKELITE CO 2013-05-01 CN disclosed