SCHEMBL14578027

SCHEMBL14578027

O=C(O)CO[C@@H](c1ccccc1)[C@H](O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PTPN7 P35236 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ GABBR2 O75899 1/20 0.38
▸ GABBR1 Q9UBS5 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
SCHEMBL14578330 0.79 CTSS (0.39) MAPK1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL14578020 0.77 LMNA (0.47) ALOX15LMNAMAPK1ALDH1A1SLC6A2
SCHEMBL14578026 0.77 LMNA (0.47) ALOX15LMNAMAPK1ALDH1A1SLC6A2
SCHEMBL167430 0.76 ALOX15 (0.48) ALOX15LMNAMAPK1SLC6A2SLC6A4
SCHEMBL11142447 0.76 CYP2D6 (0.47) ALOX15LMNAALDH1A1SLC6A2SLC6A4
Ammonia Solution, Strong SCHEMBL9292400 0.75 ALOX15 (0.47) ALOX15LMNAMAPK1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8044031 0.75 LMNA (0.47) ALOX15LMNAMAPK1SLC6A2SLC6A4
SCHEMBL9842268 0.73 LMNA (0.48) ALOX15LMNAMAPK1ALDH1A1SLC6A2
SCHEMBL16672851 0.73 FFAR1 (0.49) ALOX15ALDH1A1GABBR2GABBR1
SCHEMBL28444913 0.73 ALOX15 (0.45) ALOX15LMNAMAPK1GABBR2GABBR1

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-7173141-B2 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-02-06 — — US disclosed
US-7173141-B2 Chiral lactones COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-02-06 — — US disclosed
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