SCHEMBL27935360

SCHEMBL27935360

CCCCCCN(C)N1C(=O)C=C(C)C1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
MGLL Q99685 2/20 0.36
FAAH O00519 1/20 0.36
DNM1 Q05193 3/20 0.35
JUN P05412 4/20 0.35
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
FOS P01100 2/20 0.35
GPR84 Q9NQS5 2/20 0.35
MCHR1 Q99705 1/20 0.35
XPO1 O14980 1/20 0.34
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
GGPS1 O95749 3/20 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
SCHEMBL27916636 0.93 JUN (0.36) PTGS1PTGS2MGLLFAAHJUN
SCHEMBL28113423 0.70 JUN (0.37) JUNNFKB1NFKB2RELAFOS
SCHEMBL5970312 0.69 MGLL (0.58) PTGS1PTGS2MGLLFAAH
SCHEMBL18999087 0.69 MGLL (0.58) PTGS1PTGS2MGLLFAAH
SCHEMBL8439722 0.69 MGLL (0.58) PTGS1PTGS2MGLLFAAH
SCHEMBL8438883 0.69 MGLL (0.58) PTGS1PTGS2MGLLFAAH
SCHEMBL187582 0.69 MGLL (0.58) PTGS1PTGS2MGLLFAAH
SCHEMBL4654369 0.69 MGLL (0.58) PTGS1PTGS2MGLLFAAH
SCHEMBL8439766 0.67 MGLL (0.55) PTGS1PTGS2MGLLFAAH
SCHEMBL11492423 0.66 DNM1 (0.41) MGLLFAAHDNM1GPR84MCHR1

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
CN-103261250-A Gate insulator layer for electronic devices MERCK PATENT GMBH 2013-08-21 CN disclosed