SCHEMBL9915436

SCHEMBL9915436

CCCCOc1cn(OCCCC)c(CNC(=N)Oc2ccccc2)cc1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.36
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.33
MAPK1 P28482 1/20 0.33
LTA4H P09960 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL15279017 0.84 FAAH (0.33) FAAHTSHRRECQLUSP2MAPK1
SCHEMBL14136933 0.82 SMN1; SMN2 (0.34) FAAHTSHRRECQLUSP2MAPK1
SCHEMBL16748752 0.80 TP53 (0.34) TSHRMAPK1ALDH1A1
SCHEMBL15279057 0.80 TP53 (0.33) TSHRMAPK1ALDH1A1
SCHEMBL14136527 0.78 PPARD (0.43) TSHR
SCHEMBL14136603 0.77 USP2 (0.45) USP2MAPK1
SCHEMBL16748757 0.77 S1PR2 (0.33) TSHRALDH1A1
SCHEMBL9915381 0.76 NPC1 (0.38) TSHRMAPK1ALDH1A1
SCHEMBL9915493 0.76 SMN1; SMN2 (0.43)
SCHEMBL14136604 0.75 USP2 (0.45) USP2MAPK1

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
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 WO disclosed