Tert-Butylamine

SCHEMBL8924062

CC(C)(C)N.CC(C)(Oc1ccc(OCCSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1)C(=O)O

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

The experimentally established mechanism targets of Tert-Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	PPARA	Q07869	16/20	0.45

▸	PPARG	P37231	12/20	0.45

▸	PPARD	Q03181	12/20	0.45

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
SCHEMBL8767310	0.96	PPARA (0.47)	PPARAPPARGPPARD
SCHEMBL8768773	0.84	PPARA (0.54)	PPARAPPARGPPARD
SCHEMBL8923974	0.83	PPARG (0.52)	PPARAPPARGPPARD
SCHEMBL8767430	0.82	PPARA (0.56)	PPARAPPARGPPARD
SCHEMBL8767368	0.81	PPARG (0.42)	PPARAPPARGPPARD
SCHEMBL8767800	0.81	PPARA (0.52)	PPARAPPARGPPARD
SCHEMBL8923383	0.80	PPARA (0.54)	PPARAPPARGPPARD
SCHEMBL8923438	0.79	PPARA (0.44)	PPARAPPARGPPARD
SCHEMBL8924642	0.77	ADRB3 (0.43)	PPARAPPARGPPARD
SCHEMBL8924650	0.77	ADRB3 (0.43)	PPARAPPARGPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-5627205-A	ANTILIPEMIC AGENTS AND ANTIOXIDANTS	ADIR ET COMPAGNIE (FR)	1997-05-06	—	—	US	disclosed
US-5512595-A	FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS	ADIR ET COMPAGNIE (FR)	1996-04-30	—	—	US	disclosed