SCHEMBL19987275

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1C2(C)O[C@@H](n3ccc(=O)[nH]c3=O)C(F)C12COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.65

▸	CYP2C9	P11712	2/20	0.65

▸	BTN3A1	O00481	4/20	0.39

▸	P2RY2	P41231	4/20	0.39

▸	P2RY6	Q15077	2/20	0.39

▸	P2RY14	Q15391	2/20	0.39

▸	P2RY12	Q9H244	3/20	0.34

▸	ENTPD2	Q9Y5L3	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
SCHEMBL19987263	0.94	CYP3A4 (0.65)	CYP3A4CYP2C9BTN3A1P2RY2P2RY6
SCHEMBL19987273	0.89	CYP3A4 (0.53)	CYP3A4CYP2C9BTN3A1
SCHEMBL19987156	0.85	CYP3A4 (0.68)	CYP3A4CYP2C9BTN3A1P2RY2P2RY6
SCHEMBL21511188	0.85	CYP3A4 (0.68)	CYP3A4CYP2C9BTN3A1P2RY2P2RY6
SCHEMBL19590175	0.84	CYP3A4 (0.66)	CYP3A4CYP2C9BTN3A1P2RY2P2RY6
SCHEMBL19987241	0.84	CYP3A4 (0.70)	CYP3A4CYP2C9BTN3A1P2RY2P2RY6
SCHEMBL19987216	0.84	CYP3A4 (0.53)	CYP3A4CYP2C9BTN3A1
SCHEMBL21511229	0.83	CYP3A4 (0.64)	CYP3A4CYP2C9BTN3A1P2RY2P2RY6
SCHEMBL23348844	0.83	CYP3A4 (0.62)	CYP3A4CYP2C9BTN3A1P2RY2P2RY6
SCHEMBL23010257	0.83	CYP3A4 (0.64)	CYP3A4CYP2C9BTN3A1P2RY2P2RY6

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
WO-2018049535-A1	NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF	LCB PHARMA INC. (CA)	2018-03-22	—	—	WO	disclosed