SCHEMBL8534848

SCHEMBL8534848

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

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD81 P60033 2/20 0.36
CYP19A1 P11511 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL8537860 0.88 CD81 (0.34) CD81
SCHEMBL8533098 0.87 CYP19A1 (0.32) CD81CYP19A1ALDH1A1NPSR1
SCHEMBL27564421 0.85 NPSR1 (0.36) CD81CYP19A1ALDH1A1NPSR1
SCHEMBL8536939 0.84 NAAA (0.33) CYP19A1ALDH1A1NPSR1
Ethylene Glycol SCHEMBL28293687 0.83 NPSR1 (0.39) CYP19A1ALDH1A1NPSR1
Methacrylic Acid SCHEMBL13504160 0.82 NAAA (0.37) CYP19A1ALDH1A1NPSR1
Methacrylic Acid SCHEMBL21924974 0.81 CYP19A1 (0.36) CYP19A1ALDH1A1NPSR1
SCHEMBL30385819 0.80 NAAA (0.32) CYP19A1
SCHEMBL45476 0.80 NAAA (0.40) CYP19A1ALDH1A1NPSR1
SCHEMBL8885416 0.79 CYP17A1 (0.33) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975327-B2 Controlling morphology of block copolymers DOW CORNING CORPORATION (US) 2015-03-10 US disclosed
EP-2643413-A1 CONTROLLING MORPHOLOGY OF BLOCK COPOLYMERS Dow Corning Corporation (US) 2013-10-02 EP disclosed
US-20130231438-A1 Controlling Morphology of Block Copolymers DOW CORNING CORPORATION (US) 2013-09-05 US disclosed
WO-2012071330-A1 CONTROLLING MORPHOLOGY OF BLOCK COPOLYMERS DOW CORNING CORPORATION (US) 2012-05-31 WO disclosed