SCHEMBL28138951

SCHEMBL28138951

C=C(C)C.C=C(C)C(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP19A1 P11511 4/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP17A1 P05093 3/20 0.35
EPHX2 P34913 2/20 0.34
EPHX1 P07099 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
CA2 P00918 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33

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
SCHEMBL45476 0.98 NAAA (0.40) NAAANPSR1CYP19A1ALDH1A1CYP17A1
SCHEMBL19919375 0.93 ALDH1A1 (0.34) NAAANPSR1CYP19A1ALDH1A1CYP17A1
SCHEMBL18973456 0.93 ALDH1A1 (0.34) NAAANPSR1CYP19A1ALDH1A1CYP17A1
Methacrylic Acid SCHEMBL13504160 0.93 NAAA (0.37) NAAANPSR1CYP19A1ALDH1A1CYP17A1
Ethylene Glycol SCHEMBL28293687 0.91 NPSR1 (0.39) NAAANPSR1CYP19A1ALDH1A1CYP17A1
SCHEMBL3281463 0.90 ALDH1A1 (0.41) NAAACYP19A1ALDH1A1KMT2A
Acrylic Acid SCHEMBL28320730 0.88 THRB (0.36) NAAANPSR1CYP19A1ALDH1A1CYP17A1
Methacrylic Acid SCHEMBL21924974 0.88 CYP19A1 (0.36) NAAANPSR1CYP19A1ALDH1A1CYP17A1
SCHEMBL75841 0.88 NAAA (0.32) NAAANPSR1CYP19A1ALDH1A1
SCHEMBL25477401 0.87 NAAA (0.36) NAAANPSR1CYP19A1ALDH1A1CYP17A1

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-104136134-B MULTILAYER FILM-FORMING METHOD AND COATED ARTICLE 关西涂料株式会社 2017-05-10 CN disclosed