SCHEMBL8556512

CCCCCCCCCCN(CCO)C(=O)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(C(=O)N(CCO)CCCCCCCCCC)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	CNR2	P34972	1/20	0.34

▸	EGFR	P00533	1/20	0.34

▸	ERBB2	P04626	1/20	0.34

▸	GAA	P10253	1/20	0.32

▸	HPGD	P15428	1/20	0.32

▸	THRA	P10827	1/20	0.32

▸	THRB	P10828	1/20	0.32

▸	TSHR	P16473	1/20	0.32

▸	MAOA	P21397	1/20	0.31

▸	MAOB	P27338	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
SCHEMBL8557298	0.91	—	—
SCHEMBL9791990	0.89	MLYCD (0.38)	EGFRERBB2HPGD
SCHEMBL9791989	0.85	ALDH1A1 (0.36)	HPGD
SCHEMBL8558152	0.83	NTRK2 (0.37)	HPGD
SCHEMBL9791975	0.81	ALDH1A1 (0.35)	HPGD
SCHEMBL9792064	0.81	ALDH1A1 (0.46)	HPGDTSHR
SCHEMBL9791939	0.81	ALDH1A1 (0.46)	HPGDTSHR
SCHEMBL9841193	0.80	L3MBTL1 (0.46)	THRATHRB
SCHEMBL9791925	0.77	ALDH1A1 (0.32)	HPGD
SCHEMBL8555860	0.76	NPC1 (0.37)	GAAHPGDTSHR

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-0507950-B1	PROCESS FOR PRODUCING DIACETALS	NEW JAPAN CHEM CO LTD (JP)	1998-04-08	—	—	EP	disclosed
EP-0507950-A1	PROCESS FOR PRODUCING DIACETAL	NEW JAPAN CHEMICAL CO.,LTD. (JP)	1992-10-14	—	—	EP	disclosed