SCHEMBL7992291

CC(C)(C)OC(=O)N=C(c1ccc(C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)N2CCc3[nH]c(CC(=O)OCc4ccccc4)cc3C2)cc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB3	P05106	1/20	0.40

▸	ITGA2B	P08514	1/20	0.40

▸	HCRTR2	O43614	5/20	0.39

▸	P2RX7	Q99572	7/20	0.39

▸	KMT2A	Q03164	1/20	0.38

▸	HCRTR1	O43613	3/20	0.36

▸	MAPT	P10636	1/20	0.35

▸	TDP1	Q9NUW8	1/20	0.35

▸	ADORA1	P30542	1/20	0.34

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
SCHEMBL7992731	0.94	ITGA4 (0.38)	ITGB3ITGA2BHCRTR2P2RX7HCRTR1
SCHEMBL7992459	0.86	P2RX7 (0.46)	HCRTR2P2RX7KMT2AADORA1
SCHEMBL7989512	0.85	ITGB3 (0.38)	ITGB3ITGA2BHCRTR2P2RX7KMT2A
SCHEMBL7975361	0.83	ITGB3 (0.57)	ITGB3ITGA2BHCRTR2P2RX7KMT2A
Trifluoroacetic Acid SCHEMBL7985751	0.82	ITGB3 (0.54)	ITGB3ITGA2BHCRTR2P2RX7KMT2A
SCHEMBL7975424	0.82	ITGB3 (0.40)	ITGB3ITGA2BHCRTR2P2RX7KMT2A
SCHEMBL7986751	0.81	ITGB3 (0.44)	ITGB3ITGA2BHCRTR2P2RX7KMT2A
SCHEMBL8131164	0.79	ITGB3 (0.45)	ITGB3ITGA2BHCRTR2P2RX7KMT2A
SCHEMBL7992152	0.79	ITGB3 (0.40)	ITGB3ITGA2BHCRTR2KMT2AHCRTR1
SCHEMBL7994742	0.79	ITGA4 (0.36)	ITGB3ITGA2BHCRTR2P2RX7HCRTR1

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-6265418-B1	ANTICOAGULANTS	UBE INDUSTRIES, LTD. (JP)	2001-07-24	—	—	US	disclosed