SCHEMBL7963422

SCHEMBL7963422

CCCCOC(=O)NC1(O)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.43
ACHE P22303 13/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9058813 0.82 ALDH1A1 (0.40) MAPTKMT2AALDH1A1GAA
SCHEMBL1954999 0.82 EPHX1 (0.42) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL526390 0.81 KMT2A (0.41) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL4053495 0.81 KMT2A (0.41) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL3685791 0.81 EPHX1 (0.41) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL8303913 0.80 EPHX1 (0.40) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL1739332 0.80 MAPT (0.46) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL8327512 0.80 EPHX1 (0.40) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL1536750 0.79 KMT2A (0.42) EPHX1ACHESMN1; SMN2NPC1RAB9A
SCHEMBL4722847 0.78 ALDH1A1 (0.44) EPHX1ACHESMN1; SMN2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed