SCHEMBL8637335

SCHEMBL8637335

O=C(OCCCOc1ccc(Cc2ccccc2)cc1)C1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.56
HRH1 P35367 2/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
ITGB3 P05106 5/20 0.47
ITGA2B P08514 5/20 0.47
ITGAV P06756 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
SCHEMBL8640059 0.86 LTA4H (0.50) LTA4HKDM4EMEN1ALDH1A1KMT2A
SCHEMBL19469277 0.83 PKM (0.51) LTA4HKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7326383 0.83 LTA4H (0.49) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL8639933 0.81 RAB9A (0.50) LTA4HALDH1A1KMT2AITGB3ITGA2B
SCHEMBL8635989 0.81 SMN1; SMN2 (0.57) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL8639322 0.80 SMN1; SMN2 (0.62) LTA4HHRH1KDM4EMEN1ALDH1A1
SCHEMBL8637144 0.79 LTA4H (0.47) LTA4HHRH1MEN1ALDH1A1KMT2A
SCHEMBL27694957 0.79 AKR1B10 (0.47) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8642313 0.78 LTA4H (0.47) LTA4HMEN1ALDH1A1KMT2AITGB3
SCHEMBL8637391 0.78 LTA4H (0.49) LTA4HHRH1KDM4EMEN1ALDH1A1

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