SCHEMBL10526349

CC(=O)N[C@H]1[C@@H](OCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](CI)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H]1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	POLB	P06746	2/20	0.53

▸	LMNA	P02545	3/20	0.51

▸	KMT2A	Q03164	1/20	0.51

▸	TP53	P04637	2/20	0.45

▸	MDM2	Q00987	2/20	0.45

▸	NT5E	P21589	1/20	0.43

▸	MDM4	O15151	1/20	0.43

▸	HSP90AA1	P07900	1/20	0.43

▸	HSP90AB1	P08238	1/20	0.43

▸	PTPN1	P18031	7/20	0.42

▸	CDC25B	P30305	5/20	0.41

▸	PTPN2	P17706	3/20	0.41

▸	PTPN11	Q06124	3/20	0.41

▸	L3MBTL1	Q9Y468	1/20	0.41

▸	ALDH1A1	P00352	2/20	0.40

▸	PTPN6	P29350	2/20	0.40

▸	CYP2D6	P10635	1/20	0.40

▸	MAPK1	P28482	1/20	0.40

▸	CYP3A4	P08684	1/20	0.40

▸	MAPT	P10636	1/20	0.40

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
SCHEMBL8038810	0.92	POLB (0.63)	POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL10604734	0.89	POLB (0.59)	POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL10604737	0.89	POLB (0.59)	POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL6760496	0.88	POLB (0.63)	POLBLMNAKMT2ATP53MDM2
SCHEMBL11173059	0.88	TP53 (0.52)	POLBLMNAKMT2ATP53MDM2
SCHEMBL5840884	0.86	TP53 (0.55)	POLBLMNAKMT2ATP53MDM2
SCHEMBL15514084	0.86	TP53 (0.55)	POLBLMNAKMT2ATP53MDM2
SCHEMBL16967451	0.86	TP53 (0.55)	POLBLMNAKMT2ATP53MDM2
SCHEMBL5840927	0.86	TP53 (0.55)	POLBLMNAKMT2ATP53MDM2
SCHEMBL10524961	0.86	POLB (0.48)	POLBLMNAKMT2ATP53MDM2

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-4818816-A	ANTICOAGULANT	CHOAY, S.A. (FR)	1989-04-04	—	—	US	disclosed