SCHEMBL28099367

SCHEMBL28099367

CC(C)CCOC(=O)CC(=O)CC(=O)OCCC(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 2/20 0.41
PKM P14618 2/20 0.41
HSD17B10 Q99714 1/20 0.41
EPHX2 P34913 1/20 0.41
FAAH O00519 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 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
SCHEMBL2267201 0.91 CYP19A1 (0.50) CYP19A1CA12CA1CA2CA9
SCHEMBL11768048 0.88 FAAH (0.46) CYP19A1CA12CA1CA2CA9
SCHEMBL1171910 0.84 GAA (0.46) CYP19A1CA12CA1CA2CA9
Butane SCHEMBL6048873 0.84 GAA (0.46) CYP19A1CA12CA1CA2CA9
SCHEMBL17847707 0.84 GAA (0.46) CYP19A1CA12CA1CA2CA9
SCHEMBL6635716 0.84 CYP19A1 (0.46) CYP19A1CA12CA1CA2CA9
Ethane SCHEMBL5391797 0.83 CYP19A1 (0.45) CYP19A1CA12CA1CA2CA9
SCHEMBL333015 0.81 ADRA2A (0.50) CYP19A1CA12CA1CA2CA9
SCHEMBL7572877 0.80 CYP19A1 (0.46) CYP19A1CA12CA1CA2CA9
SCHEMBL11056452 0.79 CYP19A1 (0.42) CYP19A1CA12CA1CA2CA9

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-106103396-A Compound, resin, lower layer film for lithography form material, lower layer film for lithography, pattern formation method and compound or the purification process of resin 三菱瓦斯化学株式会社 2016-11-09 CN disclosed