SCHEMBL18923643

C=C1CC[C@H]2C(CN3CCN(C)CC3)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@@]1(O)[C@]2(O)CC[C@]12C(=O)C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCN(C)CC3)[C@@H]2CCC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 1)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	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
SCHEMBL18506486	0.91	KMT2A (0.34)	KMT2A
SCHEMBL18501597	0.91	KMT2A (0.34)	KMT2A
SCHEMBL18506448	0.86	KMT2A (0.35)	KMT2A
SCHEMBL18506478	0.85	—	—
SCHEMBL18501583	0.83	KMT2A (0.34)	KMT2A
SCHEMBL18501599	0.83	KMT2A (0.34)	KMT2A
SCHEMBL18501600	0.82	KMT2A (0.32)	KMT2A
SCHEMBL18506490	0.81	—	—
SCHEMBL18506557	0.80	KMT2A (0.33)	KMT2A
SCHEMBL18506488	0.80	KMT2A (0.31)	KMT2A

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-9670226-B2	Sesquiterpenoids	NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN)	2017-06-06	—	—	US	disclosed