SCHEMBL13780484

N[C@@H]1C(CCCCC(=O)NCCCCCNC(=O)CCSC(C(=O)NCCNC(=O)c2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)c2ccccc2)SC[C@@H]1NC=O

nearest known ligand 0.47

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	FOLH1	Q04609	2/20	0.47

▸	ALB	P02768	2/20	0.47

▸	SLC5A2	P31639	2/20	0.47

▸	AVPR2	P30518	1/20	0.44

▸	OXTR	P30559	1/20	0.44

▸	AVPR1A	P37288	1/20	0.44

▸	HTRA2	O43464	8/20	0.43

▸	HTRA1	Q92743	8/20	0.43

▸	ESR1	P03372	1/20	0.39

▸	CA9	Q16790	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
SCHEMBL9906218	0.98	FOLH1 (0.47)	FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL13678657	0.96	FOLH1 (0.46)	FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL13678652	0.89	CA9 (0.43)	FOLH1ALBSLC5A2CA9
SCHEMBL9906264	0.87	ALB (0.48)	FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL14140516	0.86	HTRA2 (0.38)	FOLH1ALBSLC5A2HTRA2HTRA1
SCHEMBL13678641	0.85	ALB (0.48)	FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL9906263	0.84	FOLH1 (0.46)	FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL18699631	0.83	ALB (0.56)	FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL1688103	0.81	FOLH1 (0.55)	FOLH1ALBSLC5A2AVPR2OXTR
SCHEMBL14619873	0.80	FOLH1 (0.43)	FOLH1ALBSLC5A2AVPR2OXTR

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
US-20090173631-A1	Single Cell Analysis of Membrane Molecules	ACLARA BIOSCIENCES, INC.	2009-07-09	—	—	US	disclosed