SCHEMBL18323105

CCc1ccc(CS(=O)(=O)NC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](NC)C(C)(C)c2ccccc2)C(C)(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	TUBB1	Q9H4B7	2/20	0.57

▸	MMP1	P03956	1/20	0.32

▸	ADAM17	P78536	1/20	0.32

▸	MMP3	P08254	5/20	0.30

▸	MMP2	P08253	4/20	0.30

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
SCHEMBL16176585	0.95	TUBB1 (0.60)	TUBB1MMP1ADAM17MMP3MMP2
SCHEMBL20724022	0.95	TUBB1 (0.60)	TUBB1MMP1ADAM17MMP3MMP2
SCHEMBL16176583	0.95	TUBB1 (0.60)	TUBB1MMP1ADAM17MMP3MMP2
SCHEMBL19282622	0.95	TUBB1 (0.60)	TUBB1MMP1ADAM17MMP3MMP2
SCHEMBL16176586	0.95	TUBB1 (0.60)	TUBB1MMP1ADAM17MMP3MMP2
SCHEMBL16176439	0.94	TUBB1 (0.59)	TUBB1MMP1ADAM17
SCHEMBL19282711	0.94	TUBB1 (0.57)	TUBB1MMP1ADAM17MMP3MMP2
SCHEMBL16176532	0.94	TUBB1 (0.57)	TUBB1MMP1ADAM17MMP3MMP2
SCHEMBL16176433	0.94	TUBB1 (0.59)	TUBB1MMP1ADAM17
SCHEMBL16176436	0.94	TUBB1 (0.59)	TUBB1MMP1ADAM17

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-9522876-B2	Cytotoxic and anti-mitotic compounds, and methods of using the same	ZYMEWORKS INC.	2016-12-20	—	—	US	disclosed