SCHEMBL4864985

SCHEMBL4864985

CC(C)(C)OC(=O)n1c(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 16/20 0.49
NR1H3 Q13133 3/20 0.49
BCHE P06276 1/20 0.45
GPR119 Q8TDV5 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42

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
SCHEMBL14367891 0.80 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL13663125 0.79 CYP1A2 (0.49) NR1H2NR1H3CKS1BSKP1SKP2
SCHEMBL12450000 0.78 HSP90AA1 (0.52) NR1H2NR1H3BCHEGPR119CKS1B
SCHEMBL26984205 0.77 BCHE (0.44) NR1H2NR1H3BCHEGPR119CKS1B
SCHEMBL4727654 0.76 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL4726985 0.76 NR1H2 (0.50) NR1H2NR1H3
SCHEMBL17220693 0.76 NR1H2 (0.61) NR1H2NR1H3
SCHEMBL17220666 0.76 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL31282282 0.76 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL8820122 0.76 NR1H2 (0.62) NR1H2NR1H3

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-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed
US-7423059-B2 Pharmaceutically active compounds and methods of use WYETH (US) 2008-09-09 US disclosed