SCHEMBL8928375

CC(C)(C)OC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)C(COCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	NR1D1	P20393	4/20	0.47

▸	NR1H3	Q13133	1/20	0.38

▸	ALDH1A1	P00352	2/20	0.38

▸	MAPT	P10636	1/20	0.38

▸	PPARG	P37231	1/20	0.36

▸	PPARA	Q07869	1/20	0.36

▸	MMP1	P03956	1/20	0.36

▸	MMP2	P08253	1/20	0.36

▸	MMP9	P14780	1/20	0.36

▸	MMP8	P22894	1/20	0.36

▸	MMP13	P45452	1/20	0.36

▸	KCNH2	Q12809	1/20	0.35

▸	HTR2A	P28223	1/20	0.35

▸	GAA	P10253	1/20	0.35

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
SCHEMBL8928353	0.86	PPARA (0.36)	NR1D1NR1H3PPARGPPARA
SCHEMBL8059351	0.82	PPARA (0.46)	PPARGPPARA
SCHEMBL8387845	0.80	—	—
SCHEMBL8928369	0.79	PPARA (0.36)	MAPTPPARGPPARA
SCHEMBL6432521	0.77	PPARA (0.43)	PPARGPPARA
SCHEMBL15388283	0.76	NR1D1 (0.52)	NR1D1NR1H3ALDH1A1MAPTPPARG
SCHEMBL6429868	0.76	PPARA (0.43)	PPARGPPARA
SCHEMBL8200111	0.74	MAOB (0.45)	NR1D1ALDH1A1MAPTPPARGPPARA
SCHEMBL7512476	0.74	NR1D1 (0.53)	NR1D1NR1H3ALDH1A1MAPTMMP1
SCHEMBL15388528	0.73	NR1D1 (0.48)	NR1D1NR1H3PPARGPPARAMMP1

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-5649537-A	CONJUGATION OF A BILE ACID WITH A CHELATING AGENT AND BI- OR TRIVALENT METALS; IMAGING OF THE HEPTATOBILIARY SYSTEM; NUCLEAR MAGNETIC RESONANCE	DIBRA S.P.A. (IT)	1997-07-22	—	—	US	disclosed