SCHEMBL7413290

SCHEMBL7413290

OCCc1ccc(OCCC2CCCCN2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.50
HRH3 Q9Y5N1 1/20 0.49
CHEK2 O96017 1/20 0.46

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
SCHEMBL5158495 0.89 LTA4H (0.52) LTA4HHRH3CHEK2
SCHEMBL7347261 0.83 LTA4H (0.54) LTA4HCHEK2
SCHEMBL2185418 0.83 LTA4H (0.50) LTA4HCHEK2
SCHEMBL5104605 0.83 LTA4H (0.52) LTA4HCHEK2
Hydrochloric Acid SCHEMBL5159301 0.82 LTA4H (0.53) LTA4HCHEK2
SCHEMBL8796939 0.82 LTA4H (0.52) LTA4H
SCHEMBL3647995 0.82 LTA4H (0.53) LTA4HHRH3CHEK2
SCHEMBL4095536 0.82 LTA4H (0.51) LTA4HHRH3
SCHEMBL6005460 0.82 LTA4H (0.49) LTA4HCHEK2
SCHEMBL7326422 0.81 LTA4H (0.76) LTA4H

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
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed