SCHEMBL8644228

SCHEMBL8644228

O=C(CCNC(=O)C1CCNCC1)OCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HRH1 P35367 1/20 0.44

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
SCHEMBL8639322 0.89 SMN1; SMN2 (0.62) LTA4HSMN1; SMN2NPC1PKMEPHX2
SCHEMBL8635989 0.88 SMN1; SMN2 (0.57) LTA4HSMN1; SMN2NPC1PKMEPHX2
SCHEMBL8641254 0.83 SMN1; SMN2 (0.56) LTA4HSMN1; SMN2NPC1PKMEPHX2
SCHEMBL17842262 0.79 RAB9A (0.75) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8773761 0.79 MEN1 (0.54) LTA4HSMN1; SMN2NPC1PKMEPHX2
SCHEMBL7135529 0.79 LTA4H (0.83) LTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL8640087 0.78 SMN1; SMN2 (0.68) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8637335 0.77 LTA4H (0.56) LTA4HALDH1A1MEN1KMT2AKDM4E
SCHEMBL8641864 0.77 SMN1; SMN2 (0.63) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8641245 0.77 NPC1 (0.60) LTA4HSMN1; SMN2NPC1PKMEPHX2

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed