SCHEMBL14716587

SCHEMBL14716587

CCCCCCN1C(=O)c2c(Br)sc(C(C)Br)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
MGLL Q99685 3/20 0.38
FAAH O00519 1/20 0.38
CDC25A P30304 8/20 0.34
CNR2 P34972 3/20 0.34
CES1 P23141 2/20 0.34
CNR1 P21554 2/20 0.34
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
ALDH3A1 P30838 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
SCHEMBL15979460 0.85 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL13096354 0.85 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL16594677 0.85 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL1041919 0.85 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15979461 0.85 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL2053670 0.85 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15422601 0.81 MGLL (0.43) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL17412781 0.80 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL16356283 0.78 ALDH1A1 (0.39) PTGS1PTGS2MGLLFAAHCNR1
SCHEMBL16623391 0.74 PTGS1 (0.40) PTGS1PTGS2MGLLFAAHCDC25A

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-8816035-B2 Photoactive polymers UNIVERSITE LAVAL (CA) 2014-08-26 US disclosed
US-20130048075-A1 NOVEL PHOTOACTIVE POLYMERS UNIVERSITE LAVAL (CA) 2013-02-28 US disclosed