SCHEMBL7934318

C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	3/20	0.51

▸	KDM4E	B2RXH2	2/20	0.51

▸	HPGD	P15428	2/20	0.51

▸	HTT	P42858	2/20	0.51

▸	MEN1	O00255	1/20	0.51

▸	LMNA	P02545	1/20	0.51

▸	KMT2A	Q03164	1/20	0.51

▸	SIRT1	Q96EB6	9/20	0.43

▸	SIRT5	Q9NXA8	1/20	0.43

▸	SIRT2	Q8IXJ6	9/20	0.42

▸	MAP2K1	Q02750	1/20	0.42

▸	PTGER4	P35408	1/20	0.42

▸	SIRT3	Q9NTG7	3/20	0.42

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
SCHEMBL7541299	0.95	KDM4E (0.56)	ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL7740151	0.93	KDM4E (0.59)	ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL11168545	0.90	MEN1 (0.47)	ALDH1A1KDM4EHPGDHTTMEN1
Trifluoroacetic Acid SCHEMBL29353970	0.89	SIRT2 (0.43)	ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL11165484	0.88	ALDH1A1 (0.50)	ALDH1A1KDM4EHPGDHTTMEN1
SCHEMBL13276502	0.88	TDP1 (0.44)	ALDH1A1KDM4EHPGDHTTSIRT1
SCHEMBL6856707	0.88	SIRT5 (0.49)	ALDH1A1KDM4EHPGDHTTSIRT1
SCHEMBL29355408	0.88	TDP1 (0.44)	ALDH1A1KDM4EHPGDHTTSIRT1
SCHEMBL4727432	0.87	SIRT2 (0.49)	SIRT1SIRT5SIRT2SIRT3
SCHEMBL29357392	0.87	SIRT2 (0.49)	SIRT1SIRT5SIRT2SIRT3

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-6235493-B1	QUANTITATIVE ANALYSIS	THE REGENTS OF THE UNIVERSITY OF CALIFORNIA	2001-05-22	—	—	US	disclosed