SCHEMBL2407016

SCHEMBL2407016

CC(C)(C)OC(=O)CC1=NC=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.38
CCNE2 O96020 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
MTNR1A P48039 5/20 0.38
MTNR1B P49286 5/20 0.38
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GLA P06280 1/20 0.35
KDM4E B2RXH2 1/20 0.33
RIPK1 Q13546 1/20 0.32
RIPK3 Q9Y572 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
STING1 Q86WV6 1/20 0.31
NFKB1 P19838 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
SCHEMBL2406644 0.73 TSHR (0.50) LMNAALDH1A1KDM4EL3MBTL1
SCHEMBL9863289 0.68 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1KDM4EL3MBTL1
SCHEMBL25177511 0.67 CCNB2 (0.40) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL22528254 0.67 MTNR1A (0.45) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL1346095 0.67 TSHR (0.56) MTNR1AMTNR1BALDH1A1L3MBTL1
SCHEMBL25122833 0.66 NOS2 (0.53) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL15203214 0.66 CCNB2 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL23500951 0.66 RAB9A (0.49) MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL21930772 0.66 MTNR1A (0.38) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL23169558 0.66 STK17B (0.40) CCNB2CCNE2CDK1CDK4CCNB1

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
US-20110212333-A1 ARTICLE HAVING ANTIFOULING PROPERTIES FOR AQUATIC AND PARTICULARLY SEA USE BLUESTAR SILICONES FRANCE (FR) 2011-09-01 US disclosed