SCHEMBL9735957

SCHEMBL9735957

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL9621054 0.81 HPN (0.37)
SCHEMBL9621523 0.81 HPN (0.37)
SCHEMBL9735816 0.79 HPN (0.39) KDM4EALDH1A1GAA
SCHEMBL28798490 0.76 KMT2A (0.47) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL13909737 0.71 HMGCR (0.43)
SCHEMBL19677860 0.71 ALDH1A1 (0.51) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL3446138 0.69 PPARG (0.49)
SCHEMBL19677863 0.68 ALDH1A1 (0.49) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL19677849 0.68 ALDH1A1 (0.49) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL284696 0.68 ALDH1A1 (0.63) KDM4EALDH1A1GAAMEN1KMT2A

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