SCHEMBL8569398

SCHEMBL8569398

CCOC(=O)C1Cc2ccccc2N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 1/20 0.48
NOTUM Q6P988 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8569404 1.00 NPC1 (0.56) NPC1RAB9AL3MBTL1HPGDNOTUM
SCHEMBL8569399 1.00 NPC1 (0.56) NPC1RAB9AL3MBTL1HPGDNOTUM
SCHEMBL8562508 0.90 NPC1 (0.57) NPC1RAB9AL3MBTL1HPGDNOTUM
SCHEMBL8562502 0.90 NPC1 (0.57) NPC1RAB9AL3MBTL1HPGDNOTUM
SCHEMBL8562505 0.90 NPC1 (0.57) NPC1RAB9AL3MBTL1HPGDNOTUM
SCHEMBL8569027 0.88 NPC1 (0.55) NPC1RAB9AL3MBTL1HPGDNOTUM
SCHEMBL8569022 0.88 NPC1 (0.55) NPC1RAB9AL3MBTL1HPGDNOTUM
SCHEMBL8569024 0.88 NPC1 (0.55) NPC1RAB9AL3MBTL1HPGDNOTUM
SCHEMBL7423458 0.87 NPC1 (0.60) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL7423459 0.87 NPC1 (0.60) NPC1RAB9AL3MBTL1NOTUMTMEM97

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed