Morpholine

SCHEMBL8068472

C1COCCN1.CCc1ccc(Oc2ccc(C(=O)O)cc2S(C)(=O)=O)c(S(N)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PKM	P14618	1/20	0.46

▸	ALDH1A1	P00352	3/20	0.35

▸	LMNA	P02545	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	SMN1; SMN2	Q16637	1/20	0.35

▸	RORC	P51449	2/20	0.34

▸	PTGDR2	Q9Y5Y4	1/20	0.33

▸	THRA	P10827	1/20	0.33

▸	THRB	P10828	1/20	0.33

▸	POLB	P06746	1/20	0.33

▸	TDP1	Q9NUW8	1/20	0.33

▸	L3MBTL1	Q9Y468	1/20	0.33

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
Piperidine SCHEMBL8073727	0.90	PKM (0.48)	PKMALDH1A1LMNAPTGDR2THRA
Diethylamine SCHEMBL8068847	0.84	PKM (0.52)	PKMALDH1A1LMNAPTGDR2THRA
SCHEMBL8059512	0.76	PKM (0.50)	PKMALDH1A1SMN1; SMN2THRATHRB
SCHEMBL8070554	0.74	PKM (0.46)	PKMALDH1A1MAPK1THRATHRB
SCHEMBL8070490	0.73	KDM4E (0.52)	PKMALDH1A1LMNATDP1
SCHEMBL8059675	0.69	PKM (0.46)	PKMALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL8068473	0.69	TBXAS1 (0.55)	PKMALDH1A1LMNA
SCHEMBL8059364	0.68	PKM (0.55)	PKMALDH1A1POLBTDP1L3MBTL1
SCHEMBL8073502	0.66	TTR (0.51)	PKMALDH1A1POLBL3MBTL1
SCHEMBL6294909	0.66	TSHR (0.60)	PKMALDH1A1LMNASMN1; SMN2THRA

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-6057322-A	USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES	HOECHST AKTIENGESELLSCHAFT (DE)	2000-05-02	—	—	US	disclosed