SCHEMBL403306

COC(=O)c1cc(C)c(OC(=O)CCCc2ccc(NC(=O)c3ccc(C)nc3-c3ccc(C(F)(F)F)cc3)c(C(=O)N(C)C)c2)c(Cl)c1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12

nearest known ligand 0.34

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	NTRK1	P04629	1/20	0.34

▸	NTRK2	Q16620	1/20	0.34

▸	HSPH1	Q92598	1/20	0.31

▸	KCNH2	Q12809	1/20	0.30

▸	PPARG	P37231	1/20	0.30

▸	PPARA	Q07869	1/20	0.30

▸	ACLY	P53396	1/20	0.30

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
SCHEMBL402646	0.94	NTRK1 (0.38)	NTRK1NTRK2HSPH1KCNH2PPARG
SCHEMBL401988	0.93	NTRK1 (0.39)	NTRK1NTRK2HSPH1KCNH2PPARG
SCHEMBL401482	0.92	NTRK1 (0.35)	NTRK1NTRK2HSPH1KCNH2PPARG
Hydrochloric Acid SCHEMBL401987	0.92	NTRK1 (0.39)	NTRK1NTRK2HSPH1KCNH2PPARG
SCHEMBL399590	0.91	NTRK1 (0.35)	NTRK1NTRK2KCNH2PPARGPPARA
SCHEMBL403346	0.88	NTRK1 (0.42)	NTRK1NTRK2HSPH1KCNH2PPARG
SCHEMBL401200	0.88	NTRK1 (0.40)	NTRK1NTRK2HSPH1KCNH2PPARG
SCHEMBL5318139	0.87	NTRK1 (0.40)	NTRK1NTRK2HSPH1KCNH2PPARG
SCHEMBL403292	0.87	NTRK1 (0.39)	NTRK1NTRK2HSPH1KCNH2PPARG
SCHEMBL397835	0.87	NTRK1 (0.39)	NTRK1NTRK2HSPH1KCNH2PPARG

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-1803452-A1	ESTER DERIVATIVE AND PHARMACEUTICAL USE THEREOF	Japan Tobacco, Inc. (JP)	2007-07-04	—	—	EP	claimed
US-8101774-B2	Ester derivatives and medicinal use thereof	JAPAN TOBACCO INC. (JP)	2012-01-24	—	—	US	disclosed