SCHEMBL18674471

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(C#Cc2ccc3c(c2)Cc2cc(N)ccc2-3)cc(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)n1

nearest known ligand 0.35

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	NR1H2	P55055	1/20	0.35

▸	ACACB	O00763	1/20	0.32

▸	LMNA	P02545	2/20	0.32

▸	MAPT	P10636	2/20	0.32

▸	RAB9A	P51151	2/20	0.32

▸	KDM4E	B2RXH2	1/20	0.32

▸	NPC1	O15118	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	HPGD	P15428	1/20	0.32

▸	SMN1; SMN2	Q16637	1/20	0.32

▸	MEN1	O00255	1/20	0.31

▸	KMT2A	Q03164	1/20	0.31

▸	TLR9	Q9NR96	1/20	0.31

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
SCHEMBL10367552	0.86	ACACB (0.37)	ACACB
SCHEMBL18674481	0.85	FFAR1 (0.36)	LMNAMAPTRAB9AKDM4ENPC1
SCHEMBL17200916	0.82	ACACB (0.35)	ACACB
SCHEMBL15618181	0.82	ACACB (0.35)	ACACB
SCHEMBL2367405	0.79	PPIB (0.34)	ACACBLMNAMAPTRAB9AKDM4E
SCHEMBL15622015	0.78	CA1 (0.33)	ACACB
SCHEMBL10414727	0.76	SMN1; SMN2 (0.43)	ACACBLMNAMAPTRAB9ANPC1
SCHEMBL9360082	0.76	ACACB (0.36)	ACACB
SCHEMBL5004256	0.73	GABRA5 (0.37)	ACACBALDH1A1
SCHEMBL18674467	0.73	PDK2 (0.32)	ACACB

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-20170089913-A1	NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES	RADIOMETER TURKU OY (FI)	2017-03-30	—	—	US	disclosed