SCHEMBL21569828

C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)Nc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)N(C)C(=O)[C@@]3(C)CCC[C@]4(C)c5cc(N)ccc5CC[C@@H]34)[C@]1(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	NR1H2	P55055	4/20	0.35

▸	NR1H3	Q13133	4/20	0.35

▸	MMP3	P08254	12/20	0.35

▸	MMP8	P22894	12/20	0.35

▸	MMP9	P14780	11/20	0.35

▸	POLA1	P09884	2/20	0.35

▸	RXRA	P19793	1/20	0.34

▸	CCNE1	P24864	1/20	0.34

▸	CDK2	P24941	1/20	0.34

▸	RXRB	P28702	1/20	0.34

▸	RXRG	P48443	1/20	0.34

▸	KARS1	Q15046	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
SCHEMBL21569815	0.95	NR1H2 (0.38)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL29292402	0.94	NR1H2 (0.43)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL21569811	0.93	MMP3 (0.36)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL29292388	0.92	NR1H2 (0.40)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL21569925	0.89	NR1H2 (0.37)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL21569814	0.89	NR1H2 (0.39)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL21569831	0.88	NR1H2 (0.37)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL29292353	0.88	NR1H2 (0.41)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL21569768	0.87	NR1H2 (0.40)	NR1H2NR1H3MMP3MMP8MMP9
SCHEMBL21569770	0.87	NR1H2 (0.37)	NR1H2NR1H3MMP3MMP8MMP9

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
EP-3883926-B1	BIS-OCTAHYDROPHENANTHRENE CARBOXAMIDE DERIVATIVES AND PROTEIN CONJUGATES THEREOF FOR USE AS LXR AGONISTS	REGENERON PHARMA (US)	2024-07-10	—	—	EP	disclosed
WO-2019217591-A1	ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF	REGENERON PHARMACEUTICALS, INC. (US)	2019-11-14	—	—	WO	disclosed