Tert-Butyl Formate

SCHEMBL28277637

CC(C)(C)OC=O.CCC(c1ccc([C@H](C)NC(=O)C(F)(F)F)cc1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	ACACB	O00763	5/20	0.38

▸	CNR1	P21554	1/20	0.37

▸	SLC6A4	P31645	10/20	0.37

▸	SLC6A2	P23975	9/20	0.37

▸	GPR139	Q6DWJ6	1/20	0.35

▸	CYP2D6	P10635	4/20	0.35

▸	KCNH2	Q12809	4/20	0.35

▸	SLC6A3	Q01959	3/20	0.35

▸	OPRD1	P41143	2/20	0.34

▸	CACNA1F	O60840	1/20	0.34

▸	CYP3A4	P08684	1/20	0.34

▸	CACNA1D	Q01668	1/20	0.34

▸	CACNA1S	Q13698	1/20	0.34

▸	CACNA1C	Q13936	1/20	0.34

▸	TACR1	P25103	1/20	0.34

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
Tert-Butyl Formate SCHEMBL28277635	1.00	ACACB (0.38)	ACACBCNR1SLC6A4SLC6A2GPR139
Tert-Butyl Formate SCHEMBL28279069	0.80	SLC6A2 (0.41)	SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
Tert-Butyl Formate SCHEMBL28279072	0.80	SLC6A2 (0.41)	SLC6A4SLC6A2CYP2D6KCNH2SLC6A3
SCHEMBL19700725	0.80	MAPT (0.45)	ACACBCNR1CYP3A4TACR1
SCHEMBL20289586	0.80	MAPT (0.45)	ACACBCNR1CYP3A4TACR1
SCHEMBL21378569	0.80	MAPT (0.45)	ACACBCNR1CYP3A4TACR1
SCHEMBL21378401	0.78	ACACB (0.41)	ACACBCNR1OPRD1TACR1
SCHEMBL21378399	0.78	ACACB (0.41)	ACACBCNR1OPRD1TACR1
SCHEMBL28277634	0.78	ACACB (0.41)	ACACBCNR1
SCHEMBL20289632	0.71	MAPT (0.44)	ACACBCNR1CYP3A4

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-109311863-A	Saltant type IDH1 inhibitor	伊莱利利公司	2019-02-05	—	—	CN	disclosed