SCHEMBL11064862

SCHEMBL11064862

COCCN(CCc1ccc(OC)c(OC)c1)C(=O)CCCOc1cccc2c1CCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
RAF1 P04049 2/20 0.41
MAP2K1 Q02750 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
OPRK1 P41145 1/20 0.39
APP P05067 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL11063084 0.94 MAPT (0.41) MAPTRAF1MAP2K1MEN1KMT2A
SCHEMBL11071318 0.81 MAPT (0.41) MAPTRAF1MAP2K1MEN1KMT2A
SCHEMBL11068361 0.81 DRD2 (0.45) RAF1MAP2K1ADRB2ADRB1HTR1A
SCHEMBL11066130 0.77 PDE3B (0.53) MAPT
SCHEMBL11068094 0.77 MAOA (0.50)
SCHEMBL11067769 0.77 PDE3B (0.51) MAPTMEN1KMT2A
SCHEMBL11069685 0.77 ADRB2 (0.41) ADRB2ADRB1HTR1AOPRK1
SCHEMBL11068986 0.76 PDE3B (0.51) MAPT
SCHEMBL11069157 0.76 MAOA (0.51) MAPTRAF1MAP2K1MEN1KMT2A
SCHEMBL11062523 0.76 PDE3B (0.49) ADRB2ADRB1HTR1AOPRK1

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
US-4435404-A ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-03-06 US disclosed