SCHEMBL6260958

CNC(=O)[C@@H](N(C(=O)[C@@H](NC)C(C)(C)c1ccccc1)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)OC)C(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TUBB1	Q9H4B7	2/20	0.41

▸	ALOX5	P09917	1/20	0.35

▸	FKBP1A	P62942	10/20	0.35

▸	KLK5	Q9Y337	1/20	0.34

▸	ALDH1A1	P00352	1/20	0.33

▸	CYP3A4	P08684	1/20	0.33

▸	TSHR	P16473	1/20	0.33

▸	ACE	P12821	1/20	0.33

▸	CYP2C19	P33261	2/20	0.33

▸	CYP2C9	P11712	1/20	0.32

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
SCHEMBL4366593	0.84	TUBB1 (0.61)	TUBB1ALOX5FKBP1AKLK5ALDH1A1
SCHEMBL57941	0.84	TUBB1 (0.61)	TUBB1ALOX5FKBP1AKLK5ALDH1A1
SCHEMBL58756	0.84	TUBB1 (0.61)	TUBB1ALOX5FKBP1AKLK5ALDH1A1
SCHEMBL57912	0.84	TUBB1 (0.61)	TUBB1ALOX5FKBP1AKLK5ALDH1A1
SCHEMBL6245060	0.84	TUBB1 (0.42)	TUBB1ALOX5FKBP1AKLK5ALDH1A1
SCHEMBL4377444	0.82	TUBB1 (0.58)	TUBB1FKBP1AKLK5
SCHEMBL57416	0.79	TUBB1 (0.45)	TUBB1ALOX5FKBP1AKLK5ALDH1A1
SCHEMBL4364705	0.77	TUBB1 (0.54)	TUBB1ALOX5KLK5ALDH1A1CYP3A4
SCHEMBL58688	0.77	TUBB1 (0.59)	TUBB1ACE
SCHEMBL4368595	0.77	TUBB1 (0.59)	TUBB1ACE

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-2005016958-A2	COMPOUNDS FOR TREATING TUMORS	WYETH HOLDINGS CORPORATION (US)	2005-02-24	—	—	WO	disclosed