Trifluoroacetic Acid

SCHEMBL8510709

CC1(C)CCC(C)(C)c2cc(-c3cccc(-c4ccc(CN)cc4)n3)ccc21.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	RARB	P10826	10/20	0.64

▸	RARA	P10276	9/20	0.64

▸	RARG	P13631	10/20	0.50

▸	RXRA	P19793	4/20	0.43

▸	CYP26B1	Q9NR63	3/20	0.43

▸	CYP26A1	O43174	3/20	0.43

▸	RXRB	P28702	2/20	0.42

▸	RXRG	P48443	2/20	0.42

▸	ABCB1	P08183	1/20	0.42

▸	ABCC1	P33527	1/20	0.42

▸	PPARG	P37231	1/20	0.40

▸	CYP3A4	P08684	1/20	0.39

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
SCHEMBL8511470	0.88	RARB (0.64)	RARBRARARARGRXRACYP26B1
SCHEMBL8557385	0.75	RARA (0.54)	RARBRARARARGRXRACYP26B1
SCHEMBL8510992	0.74	RARB (0.66)	RARBRARARARGRXRA
SCHEMBL8512225	0.74	RARA (0.56)	RARBRARARARGCYP3A4
Trifluoroacetic Acid SCHEMBL8513225	0.72	RARB (0.45)	RARBRARARARGRXRACYP26B1
SCHEMBL18970150	0.72	RARA (0.58)	RARBRARARARGRXRAABCB1
SCHEMBL2225102	0.71	RARA (0.60)	RARBRARARARGRXRAABCB1
SCHEMBL8515775	0.71	RARA (0.64)	RARBRARARARGRXRACYP26B1
SCHEMBL8510939	0.71	RARA (0.42)	RARBRARARARGRXRACYP26B1
SCHEMBL16998817	0.71	RARB (0.60)	RARBRARARARGRXRARXRB

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-2012069852-A1	PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE	ALMAC DISCOVERY LIMITED (GB)	2012-05-31	—	—	WO	disclosed