SCHEMBL8939754

SCHEMBL8939754

COc1[c]ccc(Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
CALM1 P0DP23 1/20 0.43
IDH1 O75874 2/20 0.39
CA2 P00918 1/20 0.37
MAOB P27338 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TEK Q02763 1/20 0.35
PDE2A O00408 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL3365903 0.86 MAOA (0.40) MAOB
SCHEMBL28006547 0.81 CALM1 (0.41) CALM1IDH1MAOB
SCHEMBL7996406 0.79 CALM1 (0.40) LTA4HCALM1IDH1PRSS1PRSS2
SCHEMBL458330 0.77 PTGS2 (0.42)
SCHEMBL3367670 0.76 LOXL2 (0.43) MAOB
SCHEMBL2093039 0.76 CALM1 (0.48) LTA4HCALM1IDH1PRSS1PRSS2
SCHEMBL359220 0.76 MAPT (0.38)
SCHEMBL3948493 0.75 MAOB (0.58) MAOB
SCHEMBL14605356 0.75 NPC1 (0.60) CA2
SCHEMBL1171484 0.74 CNR1 (0.37) CNR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459358-B Method for producing polyoxazolidone polymer compounds 科思创德国股份有限公司 2020-05-15 CN disclosed
EP-3143065-B1 METHOD FOR THE PRODUCTION OF POLYOXAZOLIDINONE POLYMER COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2018-01-10 EP disclosed
US-20170081459-A1 METHOD FOR THE PRODUCTION OF POLYOXAZOLIDINONE POLYMER COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2017-03-23 US disclosed
EP-3143065-A1 METHOD FOR THE PRODUCTION OF POLYOXAZOLIDINONE POLYMER COMPOUNDS Covestro Deutschland AG (DE) 2017-03-22 EP disclosed
CN-106459358-A Method for the production of polyoxazolidinone polymer compounds 科思创德国股份有限公司 2017-02-22 CN disclosed
WO-2015173101-A1 METHOD FOR THE PRODUCTION OF POLYOXAZOLIDINONE POLYMER COMPOUNDS COVESTRO DEUTSCHLAND AG (DE) 2015-11-19 WO disclosed
US-5516797-A SUPPRESSING GRAFT REJECTION VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-05-14 US disclosed
US-5330993-A Immunosuppressive compounds VERTEX PHARMACEUTICALS, INC. (US) 1994-07-19 US disclosed