SCHEMBL882409

SCHEMBL882409

Cc1ccc(C)n1-c1ncc(-c2ccc([C@@H](C)C3CC3)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP11B1 P15538 5/20 0.37
CYP11B2 P19099 5/20 0.37
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL882410 0.79 ALOX5AP (0.44) CYP11B1CYP11B2ALOX5APFEN1
SCHEMBL882408 0.74 CCR1 (0.52) KDM4E
SCHEMBL882393 0.72 KDM4E (0.50) KDM4ECYP11B1CYP11B2
SCHEMBL22736534 0.69 SLC6A2 (0.36)
SCHEMBL10149770 0.66 ALOX5AP (0.37) KDM4EALOX5AP
SCHEMBL12891847 0.66 SLC6A2 (0.36)
SCHEMBL12891848 0.66 SLC6A2 (0.36)
SCHEMBL12891658 0.66 SLC6A2 (0.42)
SCHEMBL10161845 0.63 PIK3CG (0.42) KDM4EALOX5APFEN1
SCHEMBL15871270 0.60 CYP11B1 (0.41) CYP11B1CYP11B2

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
WO-2012040137-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-29 WO disclosed