SCHEMBL10316625

CC1(C)CC(c2c(C(=O)O)c(C(=O)O)c(C3CC(C)(C)NC(C)(C)C3)c(C3CC(C)(C)NC(C)(C)C3)c2C(=O)O)CC(C)(C)N1.CC1(C)CC(c2c(C(=O)O)c(C3CC(C)(C)NC(C)(C)C3)c(C(=O)O)c(C3CC(C)(C)NC(C)(C)C3)c2C(=O)O)CC(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ALOX15	P16050	1/20	0.39

▸	GAA	P10253	2/20	0.38

▸	POLB	P06746	2/20	0.36

▸	EZH2	Q15910	3/20	0.35

▸	HTT	P42858	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.33

▸	KMT2A	Q03164	1/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	TP53	P04637	1/20	0.32

▸	KDM1A	O60341	1/20	0.32

▸	L3MBTL1	Q9Y468	2/20	0.31

▸	ATM	Q13315	1/20	0.31

▸	HSD17B10	Q99714	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
SCHEMBL313687	1.00	ALOX15 (0.39)	ALOX15GAAPOLBEZH2HTT
SCHEMBL451727	0.96	ALOX15 (0.41)	ALOX15GAAPOLBEZH2HTT
SCHEMBL6139806	0.93	POLB (0.39)	ALOX15GAAPOLBEZH2HTT
SCHEMBL10316630	0.89	GAA (0.38)	ALOX15GAAPOLBEZH2KMT2A
SCHEMBL17491073	0.79	GAA (0.38)	ALOX15GAAPOLBEZH2HTT
SCHEMBL2233519	0.78	ALOX15 (0.44)	ALOX15GAAPOLBEZH2HTT
SCHEMBL453481	0.76	ALOX15 (0.48)	ALOX15GAAPOLBEZH2HTT
SCHEMBL11176536	0.76	TSHR (0.33)	TSHR
SCHEMBL30960383	0.76	GAA (0.41)	GAAPOLBEZH2KMT2ATSHR
SCHEMBL17491074	0.76	ALOX15 (0.38)	ALOX15GAAPOLBEZH2HTT

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-2476717-A1	POLYAMIDE AND POLYAMIDE COMPOSITION	Asahi Kasei Chemicals Corporation (JP)	2012-07-18	—	—	EP	disclosed