SCHEMBL4781575

CC(=O)OC[C@H]1O[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	TNF	P01375	3/20	0.54

▸	TSHR	P16473	1/20	0.48

▸	LMNA	P02545	2/20	0.45

▸	MDM4	O15151	2/20	0.45

▸	TP53	P04637	2/20	0.45

▸	KMT2A	Q03164	1/20	0.44

▸	CYP2D6	P10635	1/20	0.43

▸	ALDH1A1	P00352	1/20	0.43

▸	MAPK1	P28482	1/20	0.43

▸	P4HB	P07237	1/20	0.43

▸	PDIA4	P13667	1/20	0.43

▸	PDIA3	P30101	1/20	0.43

▸	CASP3	P42574	1/20	0.42

▸	SLC17A5	Q9NRA2	1/20	0.42

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.

Compound	similarity	top predicted	shared targets
SCHEMBL14734331	1.00	TNF (0.54)	TNFTSHRLMNAMDM4TP53
SCHEMBL16131612	1.00	TNF (0.54)	TNFTSHRLMNAMDM4TP53
SCHEMBL8618364	1.00	TNF (0.54)	TNFTSHRLMNAMDM4TP53
SCHEMBL31501986	0.93	TNF (0.49)	TNFTSHRLMNAMDM4TP53
SCHEMBL14733502	0.91	TNF (0.53)	TNFTSHRLMNAMDM4TP53
SCHEMBL1737629	0.91	LMNA (0.55)	TNFTSHRLMNAMDM4TP53
SCHEMBL31501999	0.91	TNF (0.53)	TNFTSHRLMNAKMT2ACYP2D6
SCHEMBL8558498	0.90	TNF (0.49)	TNFMDM4TP53CASP3SLC17A5
SCHEMBL8558500	0.90	TNF (0.49)	TNFMDM4TP53CASP3SLC17A5
SCHEMBL4983320	0.89	TNF (0.44)	TNFTSHRLMNAKMT2ACYP2D6

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2008011168-A2	GLYCOSYLATED PEPTIDE ANTAGONISTS OF THE BRADYKININ B1 RECEPTOR	AMGEN INC. (US)	2008-01-24	—	—	WO	disclosed