SCHEMBL9480169

CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1F

nearest known ligand 0.39

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	PIN1	Q13526	1/20	0.39

▸	MEN1	O00255	1/20	0.39

▸	KMT2A	Q03164	1/20	0.39

▸	DUT	P33316	4/20	0.38

▸	CYP3A4	P08684	2/20	0.37

▸	CYP2C9	P11712	2/20	0.37

▸	CYP2D6	P10635	1/20	0.37

▸	CYP2C19	P33261	1/20	0.37

▸	RAB9A	P51151	1/20	0.37

▸	CASP3	P42574	2/20	0.35

▸	TNF	P01375	3/20	0.35

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
SCHEMBL9330663	0.87	PIN1 (0.37)	PIN1CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL29637576	0.76	MEN1 (0.44)	PIN1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL29637581	0.76	MEN1 (0.44)	PIN1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL29637520	0.76	MEN1 (0.44)	PIN1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL9664349	0.76	DUT (0.57)	DUT
SCHEMBL29681773	0.75	MEN1 (0.41)	PIN1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL29637575	0.75	MEN1 (0.41)	PIN1MEN1KMT2ACYP3A4CYP2C9
SCHEMBL9331385	0.74	DUT (0.50)	DUT
SCHEMBL9331387	0.74	DUT (0.50)	DUT
SCHEMBL9667989	0.73	DUT (0.48)	DUTCYP3A4CYP2C9

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-5198539-A	Viricides	BURROUGHS WELLCOME CO. (US)	1993-03-30	—	—	US	disclosed