SCHEMBL9735816

SCHEMBL9735816

CC(C)(C)c1cc(SC[C@@H]2C[C@@H](O)CC(=O)O2)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HPN P05981 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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 0.88 HPN (0.37) HPNMAPTALOX15SIRT5
SCHEMBL9621054 0.88 HPN (0.37) HPNMAPTALOX15SIRT5
SCHEMBL9735957 0.79 KDM4E (0.42) KDM4EALDH1A1GAA
SCHEMBL8530578 0.77 ALOX15 (0.49) HPNMAPTALOX15SIRT5KDM4E
SCHEMBL9736493 0.71 VCAM1 (0.37) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL9868145 0.71 VCAM1 (0.36) HPNMAPTALOX15SIRT5GAA
SCHEMBL9847668 0.68 HPN (0.39) HPNMAPTALOX15SIRT5KDM4E
SCHEMBL3406163 0.67
SCHEMBL646924 0.66 ALOX15 (0.63) HPNMAPTALOX15SIRT5ALDH1A1
SCHEMBL5692187 0.66 ALOX15 (0.63) HPNMAPTALOX15SIRT5ALDH1A1

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-5093363-A Antilipemic agents SHIONOGI & CO., LTD. (JP) 1992-03-03 US disclosed
EP-0414206-A2 2,4,6-Substituted phenol derivatives SHIONOGI & CO., LTD. (JP) 1991-02-27 EP disclosed