SCHEMBL15580461

SCHEMBL15580461

C=CC(=O)CCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc4c(ccc5cc(OC(=O)C=C)ccc54)c3)c(OCC)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CASP6 P55212 1/20 0.37
TOP2A P11388 1/20 0.36
THRA P10827 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPT P10636 4/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL12604074 0.91 MAPT (0.38) PDGFRBPDGFRANPC1LMNAPOLB
SCHEMBL20709680 0.87 NPC1 (0.40) PDGFRBPDGFRANPC1LMNANFKB1
SCHEMBL816382 0.85 THRA (0.40) NPC1LMNAPOLBNFKB1NFKB2
SCHEMBL20709693 0.84 THRB (0.41) NPC1LMNAPOLBNFKB1NFKB2
SCHEMBL30599668 0.81 POLB (0.45) NPC1LMNAPOLBNFKB1NFKB2
SCHEMBL1951966 0.81 POLB (0.45) NPC1LMNAPOLBNFKB1NFKB2
SCHEMBL816053 0.79 MAPT (0.47) NPC1LMNANFKB1NFKB2RELA
SCHEMBL20709646 0.79 THRA (0.39) NPC1LMNANFKB1NFKB2RELA
SCHEMBL21615737 0.78 HDAC1 (0.39) NPC1LMNAPOLBNFKB1NFKB2
SCHEMBL14601542 0.78 MAPT (0.43) NPC1LMNANFKB1NFKB2RELA

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-2325168-B1 POLYMERIZABLE OPTICALLY ACTIVE IMIDE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND ADEKA CORP (JP) 2014-03-19 EP disclosed