SCHEMBL29885772

CC[C@@]1(O)C[C@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@@H]3C[C@@H](O)[C@@H](O[C@H]4CC[C@@H](O)[C@@H](C)O4)[C@@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O)C(=O)c1cccc(O)c1C3=O

nearest known ligand 0.66

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	PTGS1	P23219	4/20	0.66

▸	MMP2	P08253	3/20	0.66

▸	HTR2B	P41595	2/20	0.66

▸	MEN1	O00255	11/20	0.57

▸	KMT2A	Q03164	11/20	0.57

▸	RECQL	P46063	7/20	0.57

▸	MAPT	P10636	6/20	0.57

▸	SMN1; SMN2	Q16637	6/20	0.57

▸	USP2	O75604	4/20	0.57

▸	CYP3A4	P08684	4/20	0.57

▸	TP53	P04637	2/20	0.57

▸	HBB	P68871	1/20	0.57

▸	BLM	P54132	9/20	0.52

▸	THRB	P10828	9/20	0.52

▸	KDM4E	B2RXH2	4/20	0.52

▸	CASP1	P29466	2/20	0.52

▸	HSD17B10	Q99714	2/20	0.52

▸	FNTA	P49354	1/20	0.51

▸	FNTB	P49356	1/20	0.51

▸	S100A4	P26447	4/20	0.47

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
SCHEMBL30864532	0.94	PTGS1 (0.65)	PTGS1MMP2HTR2BMEN1KMT2A
SCHEMBL29467023	0.92	PTGS1 (0.77)	PTGS1MMP2HTR2BMEN1KMT2A
Cosmomycin C SCHEMBL30610383	0.91	PTGS1 (0.62)	PTGS1MMP2HTR2BMEN1KMT2A
SCHEMBL29884118	0.90	PTGS1 (0.60)	PTGS1MMP2HTR2BMEN1KMT2A
SCHEMBL30906985	0.86	PTGS1 (0.88)	PTGS1MMP2HTR2BMEN1KMT2A
SCHEMBL29561695	0.86	PTGS1 (0.88)	PTGS1MMP2HTR2BMEN1KMT2A
Cosmomycin B SCHEMBL29884909	0.85	PTGS1 (0.58)	PTGS1MMP2HTR2BMEN1KMT2A
Cosmomycin B SCHEMBL31507007	0.85	PTGS1 (0.58)	PTGS1MMP2HTR2BMEN1KMT2A
SCHEMBL15871137	0.85	PTGS1 (0.67)	PTGS1MMP2HTR2BMEN1KMT2A
SCHEMBL29486051	0.85	PTGS1 (0.69)	PTGS1MMP2HTR2BMEN1KMT2A

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-11421223-B2	Processes and host cells for genome, pathway, and biomolecular engineering	ENEVOLV, INC. (US)	2022-08-23	—	—	US	disclosed