SCHEMBL9203536

CCCOc1cc(OC(=O)C(C)(C)C)c(C(C)C)cc1/C=C/C(=O)c1ccc(OC(=O)C(C)(C)C)cc1.CCCOc1cc(OC(=O)C(C)(C)C)c(CCC)cc1/C=C/C(=O)c1ccc(OC(=O)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	DPP4	P27487	5/20	0.44

▸	PTPN1	P18031	12/20	0.43

▸	CYP1A1	P04798	2/20	0.41

▸	CYP1B1	Q16678	2/20	0.41

▸	ABCG2	Q9UNQ0	1/20	0.40

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
SCHEMBL9203543	1.00	DPP4 (0.44)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7179852	0.94	DPP4 (0.48)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7179858	0.94	DPP4 (0.48)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7191563	0.93	DPP4 (0.49)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7191561	0.93	DPP4 (0.49)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7187913	0.90	DPP4 (0.50)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7185790	0.88	PTPN1 (0.49)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7185789	0.88	PTPN1 (0.49)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7179917	0.88	DPP4 (0.52)	DPP4PTPN1CYP1A1CYP1B1ABCG2
SCHEMBL7179914	0.88	DPP4 (0.52)	DPP4PTPN1CYP1A1CYP1B1ABCG2

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-0634927-A1	TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA	STATENS SERUMINSTITUT (DK)	1995-01-25	—	—	EP	disclosed
WO-1993017671-A1	TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA	STATENS SERUMINSTITUT (DK)	1993-09-16	—	—	WO	disclosed