SCHEMBL3348481

SCHEMBL3348481

[O]C(=O)C(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
TSHR P16473 2/20 0.57
TP53 P04637 1/20 0.57
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.50
F2 P00734 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ADRB2 P07550 1/20 0.46

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
SCHEMBL21473833 0.88 TSHR (0.62) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL8462360 0.88 TSHR (0.62) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL343011 0.86 MAPT (0.77) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL4776752 0.85 KMT2A (0.56) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL27411599 0.85 MEN1 (0.60) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL28692016 0.85 MEN1 (0.56) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL11777806 0.84 MEN1 (0.59) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL7880423 0.80 MEN1 (0.56) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL20483494 0.79 ESR1 (0.79) MEN1KMT2AMAPTPOLBNPC1
SCHEMBL828657 0.79 TSHR (0.61) MEN1KMT2AMAPTPOLBNPC1

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-2141166-A1 Adenine receptor ligands Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2010-01-06 EP disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed