SCHEMBL19601153

CCC(Cc1ccc(C(C)C(=O)N2CCN(C(=O)C(CI)c3ccc(CC(CC)(C(=O)c4ccc(N5CCNCC5)cc4)N(C)C)cc3)CC2)cc1)(C(=O)c1ccc(N2CCNCC2)cc1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TSHR	P16473	2/20	0.35

▸	GCGR	P47871	1/20	0.34

▸	MAPKAPK2	P49137	4/20	0.34

▸	AURKA	O14965	2/20	0.33

▸	AURKB	Q96GD4	2/20	0.33

▸	TRPV1	Q8NER1	1/20	0.33

▸	USP2	O75604	1/20	0.32

▸	ALDH1A1	P00352	1/20	0.32

▸	HSD17B10	Q99714	1/20	0.32

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
SCHEMBL19601377	0.94	TSHR (0.39)	TSHRMAPKAPK2AURKAAURKBTRPV1
SCHEMBL19601370	0.93	TSHR (0.36)	TSHRGCGRMAPKAPK2AURKAAURKB
SCHEMBL17269396	0.92	TSHR (0.39)	TSHRMAPKAPK2AURKAAURKBUSP2
SCHEMBL23730285	0.91	TSHR (0.37)	TSHRMAPKAPK2AURKAAURKBUSP2
SCHEMBL23152945	0.89	TSHR (0.48)	TSHRMAPKAPK2ALDH1A1
SCHEMBL17269435	0.88	TSHR (0.37)	TSHRGCGRMAPKAPK2AURKAAURKB
SCHEMBL18905098	0.87	TSHR (0.45)	TSHRMAPKAPK2ALDH1A1
SCHEMBL17269408	0.87	AURKA (0.42)	TSHRAURKAAURKB
SCHEMBL19601247	0.83	MAPKAPK2 (0.35)	TSHRMAPKAPK2USP2ALDH1A1HSD17B10
SCHEMBL2704646	0.83	ALDH1A1 (0.45)	TSHRMAPKAPK2USP2ALDH1A1HSD17B10

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
WO-2017195428-A1	NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK	DIC株式会社	2017-11-16	—	—	WO	disclosed