SCHEMBL8167129

COC[C@@H](F)CCCCCc1cnc(-c2ccc(OCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1

nearest known ligand 0.32

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	RARB	P10826	1/20	0.32

▸	NPC1	O15118	2/20	0.31

▸	RAB9A	P51151	2/20	0.31

▸	SMN1; SMN2	Q16637	1/20	0.31

▸	HSD17B10	Q99714	1/20	0.31

▸	KDM4E	B2RXH2	1/20	0.31

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
SCHEMBL8175083	0.91	RARB (0.35)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7560051	0.85	RARB (0.46)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7560836	0.85	RARB (0.46)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7565302	0.85	RARB (0.46)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7561626	0.85	RARB (0.46)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7756078	0.84	RARB (0.46)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7755270	0.84	RARB (0.46)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7089192	0.83	RARB (0.45)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL8181726	0.83	RARB (0.35)	RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL8181723	0.83	RARB (0.35)	RARBNPC1RAB9ASMN1; SMN2HSD17B10

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-6139924-A	CONTAINING A PYRIMIDINE RING	3M INNOVATIVE PROPERTIES COMPANY (US)	2000-10-31	—	—	US	disclosed