SCHEMBL14200416

SCHEMBL14200416

CCCCCCS(=O)(=O)N(CCOC)CCC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
FAAH O00519 2/20 0.33
BMP1 P13497 1/20 0.32
CA2 P00918 10/20 0.31
CA1 P00915 8/20 0.31
CA9 Q16790 7/20 0.31
CA12 O43570 3/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
RECQL P46063 2/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
EPHX2 P34913 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
SCHEMBL14200417 0.98 BMP1 (0.32) CNR2FAAHBMP1
SCHEMBL14200415 0.94 BMP1 (0.35) CNR2BMP1
SCHEMBL14229340 0.86 CNR2 (0.40) CNR2FAAHBMP1CA2CA1
SCHEMBL14200363 0.86 FAAH (0.38) CNR2FAAHCA2CA1CA12
SCHEMBL14201273 0.86 FAAH (0.38) CNR2FAAHCA2CA1CA12
SCHEMBL14200355 0.86 CNR2 (0.40) CNR2FAAHBMP1CA2
SCHEMBL14200201 0.85 BMP1 (0.35) CNR2BMP1
SCHEMBL14229525 0.84 CNR2 (0.38) CNR2FAAHBMP1CA2CA1
SCHEMBL14200354 0.84 CNR2 (0.38) CNR2FAAHBMP1CA2
SCHEMBL14200353 0.84 CA1 (0.39) CNR2FAAHBMP1CA2CA1

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-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed