6'-O-P-Coumaroylgenipin Gentiobioside

SCHEMBL29689589

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	ELANE	P08246	1/20	0.53

▸	PTPN1	P18031	9/20	0.50

▸	STAT3	P40763	6/20	0.44

▸	IL2	P60568	1/20	0.44

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
SCHEMBL29425865	0.92	PTPN1 (0.49)	ELANEPTPN1
SCHEMBL29425919	0.89	PTPN1 (0.52)	ELANEPTPN1
Genipin Gentiobioside SCHEMBL28007135	0.84	PTPN1 (0.64)	PTPN1STAT3
SCHEMBL29425894	0.82	PTPN1 (0.59)	PTPN1STAT3
SCHEMBL29426143	0.81	PRKCA (0.52)	ELANEPTPN1
Geniposide SCHEMBL21765150	0.79	PTPN1 (0.70)	PTPN1STAT3
Geniposide SCHEMBL28006822	0.79	PTPN1 (0.70)	PTPN1STAT3
Geniposide SCHEMBL16264978	0.79	PTPN1 (0.70)	PTPN1STAT3
Geniposide SCHEMBL17776267	0.79	PTPN1 (0.70)	PTPN1STAT3
Luzonoside D SCHEMBL422895	0.78	STAT3 (0.55)	ELANESTAT3

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
CN-112057510-B	Application of gardenia extract in preparation of medicine for treating ulcerative colitis	江西中医药大学	2022-06-10	—	—	CN	disclosed