SCHEMBL30104101

CCCCCCCCCCCCCCCCCCNC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1.CCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	NAAA	Q02083	2/20	0.50

▸	EPHX2	P34913	4/20	0.37

▸	TSHR	P16473	1/20	0.34

▸	EPHX1	P07099	8/20	0.34

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	S1PR4	O95977	1/20	0.33

▸	S1PR1	P21453	1/20	0.33

▸	S1PR3	Q99500	1/20	0.33

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
SCHEMBL5161847	0.95	NAAA (0.55)	NAAAEPHX2TSHREPHX1SMN1; SMN2
SCHEMBL17895652	0.93	NAAA (0.57)	NAAAEPHX2SMN1; SMN2
SCHEMBL19720354	0.90	NAAA (0.52)	NAAAEPHX2TSHREPHX1SMN1; SMN2
SCHEMBL20194432	0.87	NAAA (0.66)	NAAASMN1; SMN2
SCHEMBL1232050	0.87	NAAA (0.66)	NAAASMN1; SMN2
SCHEMBL9371596	0.85	NAAA (0.49)	NAAAEPHX2TSHRSMN1; SMN2
SCHEMBL13435126	0.84	NAAA (0.52)	NAAAEPHX2
SCHEMBL10465276	0.84	NAAA (0.52)	NAAAEPHX2
SCHEMBL12201034	0.84	NAAA (0.52)	NAAAEPHX2
SCHEMBL14707369	0.84	NAAA (0.52)	NAAAEPHX2

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
EP-4097176-A1	FLAME RETARDANT CHEMICAL COMPOSITIONS	Nordtreat Finland OY (FI)	2022-12-07	—	—	EP	claimed