SCHEMBL9621054

SCHEMBL9621054

CC(C)(C)c1cc(SCCC2C[C@@H](O)CC(=O)O2)cc(C(C)(C)C)c1O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37

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
SCHEMBL9621523 1.00 HPN (0.37) HPNMAPTALOX15SIRT5
SCHEMBL9735816 0.88 HPN (0.39) HPNMAPTALOX15SIRT5
SCHEMBL9735957 0.81 KDM4E (0.42)
SCHEMBL646924 0.71 ALOX15 (0.63) HPNMAPTALOX15SIRT5
SCHEMBL9621762 0.69 HPN (0.37) HPNMAPTALOX15SIRT5
SCHEMBL13909737 0.69 HMGCR (0.43)
SCHEMBL8702044 0.68 ALOX15 (0.59) HPNMAPTALOX15SIRT5
SCHEMBL8834366 0.68 HPN (0.44) HPNMAPTALOX15SIRT5
SCHEMBL9550806 0.68 MAPT (0.50) HPNMAPTALOX15SIRT5
SCHEMBL5692187 0.68 ALOX15 (0.63) HPNMAPTALOX15SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162365-A 5-lipoxygenase inhibitors G. D. SEARLE & CO. (US) 1992-11-10 US claimed