SCHEMBL4456215

SCHEMBL4456215

OCCOCCOCCOCCOCC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
PAM P19021 1/20 0.43
ALOX5 P09917 2/20 0.42
SIGMAR1 Q99720 4/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL9492829 0.96 IDO1 (0.55) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL9712455 0.96 IDO1 (0.55) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL7768646 0.86 IDO1 (0.52) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL3438761 0.86 IDO1 (0.52) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL7768636 0.84 IDO1 (0.50) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL14275042 0.83 IDO1 (0.57) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL8734900 0.81 IDO1 (0.59) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL29154660 0.81 IDO1 (0.59) IDO1PAMALOX5SIGMAR1HTR2A
SCHEMBL430934 0.80 IDO1 (0.68) IDO1PAMSIGMAR1HTR2AHTR2C
SCHEMBL430935 0.80 IDO1 (0.68) IDO1PAMSIGMAR1HTR2AHTR2C

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
EP-1537913-B1 PALLADIUM CATALYST COMPOSITION WAKO PURE CHEMICAL INDUSTIES L (JP) 2009-07-01 EP disclosed