SCHEMBL1024602

CCC(C)[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C1CN=C(C(N)[C@@H](C)CC)S1)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C(C)CC)NC(=O)[C@@H](CCCN)NC1=O

nearest known ligand 0.86

Predicted protein targets (top 17)

	gene	UniProt	supporting neighbours	confidence
▸	EGFR	P00533	1/20	0.86

▸	LCK	P06239	1/20	0.86

▸	HKDC1	Q2TB90	1/20	0.78

▸	NPY2R	P49146	4/20	0.52

▸	NPY1R	P25929	2/20	0.52

▸	NPY4R	P50391	2/20	0.52

▸	NPY5R	Q15761	2/20	0.52

▸	CSNK2A2	P19784	1/20	0.48

▸	CSNK2B	P67870	1/20	0.48

▸	CSNK2A1	P68400	1/20	0.48

▸	CSNK2A3	Q8NEV1	1/20	0.48

▸	CRHR1	P34998	1/20	0.46

▸	VEGFA	P15692	6/20	0.45

▸	BECN1	Q14457	3/20	0.45

▸	FLT1	P17948	1/20	0.45

▸	TCF4	P15884	1/20	0.43

▸	CTNNB1	P35222	1/20	0.43

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
SCHEMBL2274	1.00	EGFR (0.86)	EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL4352461	1.00	EGFR (0.86)	EGFRLCKHKDC1NPY2RNPY1R
Zinc Ion SCHEMBL29426351	0.95	HKDC1 (0.86)	EGFRLCKHKDC1NPY2RNPY1R
Bacitracin SCHEMBL29603422	0.93	EGFR (1.00)	EGFRLCKHKDC1NPY2RNPY1R
Bacitracin SCHEMBL20385900	0.93	EGFR (1.00)	EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL4352469	0.92	EGFR (0.77)	EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL1059374	0.92	EGFR (0.73)	EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL21413350	0.92	EGFR (0.73)	EGFRLCKHKDC1NPY2RNPY1R
Chloramphenicol SCHEMBL28142143	0.91	EGFR (0.72)	EGFRLCKHKDC1NPY2RNPY1R
SCHEMBL25547820	0.91	EGFR (0.97)	EGFRLCKHKDC1NPY2RNPY1R

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
EP-2273974-A2	PROGUANIL TO TREAT SKIN/MUCOSAL DISEASES	Tolmar, Inc. (US)	2011-01-19	—	—	EP	disclosed
WO-2009137100-A2	PROGUANIL TO TREAT SKIN/MUCOSAL DISEASES	TOLMAR, INC. (US)	2009-11-12	—	—	WO	disclosed