SCHEMBL3344397

SCHEMBL3344397

C=CC(=O)OC(CCC)Oc1ccc(/N=N/c2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.52
ACR P10323 2/20 0.52
LMNA P02545 4/20 0.44
NPC1 O15118 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 3/20 0.40
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
SLC2A1 P11166 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL13283121 0.87 THRB (0.46) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL16996730 0.87 NPC1 (0.54) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL18806528 0.87 NPC1 (0.54) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL16996728 0.83 NPC1 (0.50) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL17943062 0.83 NPC1 (0.50) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL17943054 0.83 NPC1 (0.50) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL1945993 0.83 THRB (0.42) PRSS1ACRNPC1KMT2ASMN1; SMN2
SCHEMBL18806545 0.83 THRB (0.48) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL14218976 0.83 THRB (0.42) PRSS1ACRLMNANPC1CYP1A2
SCHEMBL11891430 0.83 KMT2A (0.47) PRSS1ACRLMNANPC1CYP1A2

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
WO-2010032199-A1 A STIMULATABLE ASYMMETRICAL POLYMERSOME INSTITUT CURIE (FR) 2010-03-25 WO disclosed