SCHEMBL16680875

SCHEMBL16680875

CC(=CC(=O)OC(C)(C)C)C(=O)Oc1ccc(N)cc1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
MAPK1 P28482 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP19A1 P11511 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
SCHEMBL16680922 0.80 ELANE (0.40) NR1H2MAPK1ALDH1A1CYP19A1
SCHEMBL17054140 0.79 CYP3A4 (0.39) NR1H2ALDH1A1CYP19A1
SCHEMBL16681320 0.77 TSHR (0.38) ALDH1A1
SCHEMBL16679875 0.77 ACHE (0.37)
SCHEMBL19903990 0.74 PDE10A (0.41) L3MBTL1PDE10AALDH1A1CYP19A1
SCHEMBL4520980 0.72 ACHE (0.46) L3MBTL1PDE10AALDH1A1CYP19A1
SCHEMBL19903993 0.70 PDE10A (0.40) L3MBTL1PDE10AALDH1A1CYP19A1
SCHEMBL2191597 0.69 PDE10A (0.45) L3MBTL1PDE10AALDH1A1
SCHEMBL10917992 0.69 PDE10A (0.45) L3MBTL1PDE10AALDH1A1
SCHEMBL29092146 0.68 DGAT1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9128378-B2 Forming conductive metal patterns with reactive polymers EASTMAN KODAK COMPANY (US) 2015-09-08 US disclosed
US-20150125667-A1 FORMING CONDUCTIVE METAL PATTERNS WITH REACTIVE POLYMERS BANK OF AMERICA, N.A., AS AGENT 2015-05-07 US disclosed