SCHEMBL19485952

COc1ccc(NC(=O)[C@H](CCCCN)NC(=O)c2cc(NC(=O)[C@@H](N)CCCCN)ccc2OC)cc1C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(OC)c(C(=O)N[C@@H](CCCCCN)C(=O)Nc2ccc(OC)c(C(=O)N[C@H](C)C(=O)O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ERAP2	Q6P179	9/20	0.46

▸	LNPEP	Q9UIQ6	8/20	0.46

▸	ERAP1	Q9NZ08	5/20	0.43

▸	SUV39H2	Q9H5I1	2/20	0.42

▸	LTA4H	P09960	1/20	0.42

▸	MMP2	P08253	1/20	0.40

▸	AAK1	Q2M2I8	2/20	0.39

▸	KLKB1	P03952	1/20	0.39

▸	TSHR	P16473	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
SCHEMBL21371981	1.00	ERAP2 (0.46)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL19445642	0.99	ERAP2 (0.47)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL10261730	0.99	ERAP2 (0.47)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL12444385	0.99	ERAP2 (0.47)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL10199186	0.92	ERAP2 (0.45)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL19944716	0.91	ERAP2 (0.43)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL21371612	0.91	ERAP2 (0.46)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL21371976	0.91	ERAP2 (0.43)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL19944935	0.91	ERAP2 (0.46)	ERAP2LNPEPERAP1SUV39H2LTA4H
SCHEMBL19445745	0.91	ERAP2 (0.43)	ERAP2LNPEPERAP1SUV39H2LTA4H

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-9795575-B2	Compounds for use in treatment of mucositis	INNOVATION PHARMACEUTICALS INC. (US)	2017-10-24	—	—	US	disclosed