SCHEMBL25816686

C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)CCC)C(C)(C)[C@@H]5CC[C@]43C)C12

nearest known ligand 0.77

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CA9	Q16790	4/20	0.69

▸	PRKCD	Q05655	1/20	0.69

▸	SLC10A1	Q14973	1/20	0.67

▸	CETP	P11597	1/20	0.67

▸	CA1	P00915	1/20	0.64

▸	CA2	P00918	1/20	0.64

▸	NR1H4	Q96RI1	1/20	0.61

▸	PTPN1	P18031	1/20	0.61

▸	GPBAR1	Q8TDU6	1/20	0.60

▸	PTGES	O14684	1/20	0.60

▸	NT5E	P21589	1/20	0.58

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
SCHEMBL25815828	1.00	CA9 (0.69)	CA9PRKCDSLC10A1CETPCA1
SCHEMBL22571027	0.96	CETP (0.70)	CA9PRKCDSLC10A1CETPCA1
SCHEMBL14108321	0.94	CETP (0.68)	CA9PRKCDSLC10A1CETPCA1
SCHEMBL13573811	0.93	PRKCD (0.79)	CA9PRKCDSLC10A1CETPCA1
SCHEMBL13855629	0.91	CA9 (0.71)	CA9PRKCDSLC10A1CETPCA1
SCHEMBL26867167	0.91	PTPN1 (0.71)	CA9SLC10A1CA1CA2PTPN1
SCHEMBL13855650	0.90	CA9 (0.69)	CA9PRKCDSLC10A1CETPCA1
SCHEMBL4248605	0.90	CA9 (0.69)	CA9PRKCDSLC10A1CETPCA1
SCHEMBL14374404	0.89	CA9 (0.68)	CA9PRKCDSLC10A1CETPCA1
SCHEMBL14397738	0.89	CA9 (0.68)	CA9PRKCDSLC10A1CETPCA1

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-20230203378-A1	FORMULATIONS OF BIOREACHABLE DOPANTS FOR LIQUID CRYSTALS	KENT STATE UNIVERSITY	2023-06-29	—	—	US	disclosed