SCHEMBL5696591

SCHEMBL5696591

CC(C)OC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
PDCD1 Q15116 1/20 0.59
CD274 Q9NZQ7 1/20 0.59
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
PTGS2 P35354 1/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
MMP2 P08253 1/20 0.44

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
Benzene SCHEMBL8717860 0.89 TSHR (0.48) MAPTPDCD1CD274GAAMEN1
SCHEMBL1792881 0.89 TSHR (0.48) MAPTPDCD1CD274GAAMEN1
SCHEMBL8480144 0.86 MMP2 (0.53) MAPTGAAACACBACACAMEN1
SCHEMBL9338377 0.84 MAPT (0.52) MAPTPDCD1CD274GAACYP1A2
SCHEMBL2058536 0.83 GAA (0.55) MAPTGAACYP1A2CYP2C9PKM
SCHEMBL233643 0.82 KMT2A (0.55) MAPTGAACYP1A2CYP2C9PKM
SCHEMBL236824 0.82 KMT2A (0.55) MAPTGAACYP1A2CYP2C9PKM
SCHEMBL11670855 0.81 GAA (0.46) MAPTPDCD1CD274GAACYP1A2
SCHEMBL246849 0.81 KMT2A (0.53) MAPTGAACYP1A2CYP2C9PKM
SCHEMBL28015878 0.80 TSHR (0.44) MAPTPDCD1CD274GAAMEN1

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-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed