Sandaracopimaric Acid

SCHEMBL4432933

C=C[C@@]1(C)C=C2CCC3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC1.C=C[C@@]1(C)C=C2CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@H]2CC1.C=C[C@@]1(C)CC[C@H]2C(=CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(=O)O)C1.CC(C)C1=CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	RXRA	P19793	2/20	0.67

▸	RXRB	P28702	2/20	0.67

▸	RXRG	P48443	2/20	0.67

▸	CYP2C9	P11712	2/20	0.65

▸	CYP2C19	P33261	2/20	0.65

▸	CYP19A1	P11511	1/20	0.47

▸	MMP2	P08253	1/20	0.46

▸	HSD17B10	Q99714	3/20	0.43

▸	ALOX15	P16050	2/20	0.43

▸	PDK1	Q15118	2/20	0.43

▸	PDK2	Q15119	2/20	0.43

▸	PDK3	Q15120	2/20	0.43

▸	PDK4	Q16654	2/20	0.43

▸	MAPT	P10636	2/20	0.43

▸	LMNA	P02545	1/20	0.43

▸	SLCO1B3	Q9NPD5	1/20	0.43

▸	SLCO1B1	Q9Y6L6	1/20	0.43

▸	GABRA1	P14867	1/20	0.43

▸	GABRB2	P47870	1/20	0.43

▸	CYP3A4	P08684	1/20	0.43

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
Sandaracopimaric Acid SCHEMBL3894069	0.91	RXRA (0.80)	RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL2603438	0.82	RXRA (1.00)	RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL234276	0.82	RXRA (1.00)	RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL15744755	0.82	RXRA (1.00)	RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL12732275	0.82	RXRA (1.00)	RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL13702083	0.82	RXRA (1.00)	RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL15744757	0.82	RXRA (1.00)	RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL15339339	0.82	RXRA (1.00)	RXRARXRBRXRGCYP2C9CYP2C19
Isopimaric Acid SCHEMBL4549113	0.82	RXRA (1.00)	RXRARXRBRXRGCYP2C9CYP2C19
Sandaracopimaric Acid SCHEMBL24575220	0.81	CYP2C9 (1.00)	RXRARXRBRXRGCYP2C9CYP2C19

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
WO-2009011639-A2	DIESEL RANGE FUELS FROM CARBOXYLIC ACIDS WITH PLANT ORIGIN	SUNPINE AB (SE)	2009-01-22	—	—	WO	disclosed