Tert-Butyl Formate

SCHEMBL27699609

CC(C)(C)OC=O.O=C(Nc1cc(-c2c3c4ccccc4n2-3)ccc1Cl)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PARP1	P09874	2/20	0.44

▸	PARP2	Q9UGN5	2/20	0.44

▸	SMN1; SMN2	Q16637	2/20	0.40

▸	HDAC1	Q13547	4/20	0.39

▸	HDAC2	Q92769	4/20	0.39

▸	GRM4	Q14833	2/20	0.39

▸	NPSR1	Q6W5P4	1/20	0.38

▸	POLB	P06746	1/20	0.38

▸	TSHR	P16473	1/20	0.37

▸	HDAC3	O15379	2/20	0.37

▸	STK17B	O94768	1/20	0.37

▸	AAK1	Q2M2I8	1/20	0.37

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 SCHEMBL27699607	0.77	ITK (0.45)	PARP1PARP2SMN1; SMN2HDAC1HDAC2
SCHEMBL5510601	0.73	NR1H2 (0.57)	—
Tert-Butyl Formate SCHEMBL27699525	0.71	ALDH1A1 (0.46)	—
Tert-Butyl Formate SCHEMBL27772036	0.70	ALDH1A1 (0.43)	SMN1; SMN2NPSR1
Tert-Butyl Formate SCHEMBL27772197	0.69	ALDH1A1 (0.43)	SMN1; SMN2TSHR
SCHEMBL27699605	0.68	KDM4E (0.41)	PARP1PARP2SMN1; SMN2HDAC1HDAC2
SCHEMBL4403477	0.67	RXFP1 (0.55)	TSHR
SCHEMBL5517081	0.67	SMN1; SMN2 (0.43)	SMN1; SMN2HDAC1HDAC2GRM4NPSR1
SCHEMBL5516531	0.66	MTNR1A (0.46)	SMN1; SMN2HDAC1HDAC2GRM4NPSR1
Tert-Butyl Formate SCHEMBL27720070	0.66	NR1H2 (0.38)	NPSR1TSHR

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-101146770-A	2-phenyl indoles as prostaglandin D2 receptor antagonists	AVENTIS PHARMA INC (US)	2008-03-19	—	—	CN	disclosed