SCHEMBL13780477

O=CCC(SCCCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)NCCCCCC(=O)NCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ALB	P02768	2/20	0.48

▸	FOLH1	Q04609	2/20	0.47

▸	SLC5A2	P31639	2/20	0.46

▸	AVPR2	P30518	1/20	0.43

▸	OXTR	P30559	1/20	0.43

▸	AVPR1A	P37288	1/20	0.43

▸	HTRA2	O43464	7/20	0.41

▸	HTRA1	Q92743	7/20	0.41

▸	CAPN1	P07384	2/20	0.40

▸	ESR1	P03372	1/20	0.40

▸	WDR5	P61964	1/20	0.39

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
SCHEMBL13678641	0.91	ALB (0.48)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL29394402	0.89	ALB (0.54)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL9906264	0.89	ALB (0.48)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL14619878	0.86	ALB (0.46)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL9906263	0.85	FOLH1 (0.46)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL23940969	0.85	FOLH1 (0.52)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL14426891	0.85	HTRA2 (0.43)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL22406370	0.85	ALB (0.48)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL25613690	0.85	ALB (0.48)	ALBFOLH1SLC5A2AVPR2OXTR
SCHEMBL9906257	0.84	ALB (0.46)	ALBFOLH1SLC5A2AVPR2OXTR

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20090173631-A1	Single Cell Analysis of Membrane Molecules	ACLARA BIOSCIENCES, INC.	2009-07-09	—	—	US	disclosed
US-7402397-B2	Detecting and profiling molecular complexes	MONOGRAM BIOSCIENCES, INC. (US)	2008-07-22	—	—	US	disclosed