SCHEMBL7146813

CC(CNC(=O)[C@@H]1C[C@H]1c1c(-c2ccccc2C(C)C)cc(Sc2cc(-c3ccccc3C(C)C)c([C@@H]3C[C@H]3C(=O)NCC(C)C(=O)O)c(Cl)c2Cl)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	ITGB2	P05107	8/20	0.51

▸	ICAM1	P05362	8/20	0.51

▸	ITGAL	P20701	8/20	0.51

▸	SIGMAR1	Q99720	3/20	0.37

▸	FFAR1	O14842	2/20	0.33

▸	ALDH1A1	P00352	1/20	0.32

▸	TAAR1	Q96RJ0	1/20	0.32

▸	CYP2C8	P10632	1/20	0.32

▸	CYP2C9	P11712	1/20	0.32

▸	OPRM1	P35372	1/20	0.30

▸	APAF1	O14727	1/20	0.30

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
SCHEMBL7146694	0.87	ITGB2 (0.66)	ITGB2ICAM1ITGALSIGMAR1FFAR1
SCHEMBL7143429	0.84	ITGB2 (0.46)	ITGB2ICAM1ITGALFFAR1CYP2C8
SCHEMBL7144872	0.81	ITGB2 (0.44)	ITGB2ICAM1ITGALSIGMAR1FFAR1
SCHEMBL7150944	0.77	ITGB2 (0.52)	ITGB2ICAM1ITGALSIGMAR1ALDH1A1
SCHEMBL7145900	0.77	ITGB2 (0.52)	ITGB2ICAM1ITGALSIGMAR1ALDH1A1
SCHEMBL7144904	0.76	ITGB2 (0.51)	ITGB2ICAM1ITGALALDH1A1
SCHEMBL7141580	0.76	ITGAL (0.67)	ITGB2ICAM1ITGALSIGMAR1FFAR1
SCHEMBL7141565	0.74	ITGB2 (0.68)	ITGB2ICAM1ITGALFFAR1
SCHEMBL7165511	0.66	ITGB2 (0.50)	ITGB2ICAM1ITGALFFAR1OPRM1
SCHEMBL7143425	0.62	ITGAL (0.74)	ITGB2ICAM1ITGAL

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-6521619-B2	Bind to the interaction-domain of integrin lfa-1 interrupting enothelial cell-leukocyte adhesion	ICOS CORPORATION	2003-02-18	—	—	US	claimed