SCHEMBL9028993

SCHEMBL9028993

Cc1cc2c(c(C(C)C)c1O)CC(C)(C)O2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BCL2 P10415 1/20 0.31
BCL2L1 Q07817 1/20 0.31
MCL1 Q07820 1/20 0.31
BCL2L2 Q92843 1/20 0.31
USP2 O75604 1/20 0.31
LDHA P00338 1/20 0.30
LDHB P07195 1/20 0.30

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
SCHEMBL6764099 0.84 CA1 (0.36) ALDH1A1MAPTKDM4EUSP2
SCHEMBL6768799 0.81 SMN1; SMN2 (0.34) ALDH1A1MAPTKDM4E
SCHEMBL6130778 0.80 ALDH1A1 (0.38) ALDH1A1MAPTKDM4E
SCHEMBL9028187 0.75 CA1 (0.36) ALDH1A1MAPTKDM4E
SCHEMBL9028997 0.73 LDHA (0.35) ALDH1A1MAPTKDM4ELDHALDHB
SCHEMBL9542181 0.71 PTGS1 (0.38) MAPTUSP2
SCHEMBL8633979 0.71 ALDH1A1 (0.34) ALDH1A1MAPTKDM4E
SCHEMBL9028394 0.70 MAOB (0.46) ALDH1A1MAPTKDM4E
SCHEMBL6767062 0.69 CA1 (0.33) ALDH1A1MAPTKDM4E
SCHEMBL14113160 0.68 MAPT (0.42) ALDH1A1MAPTKDM4E

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
EP-0445827-B1 4-Hydroxytetrahydropyran-2-one derivatives useful as cholesterol and lipid reducing agents FUJIREBIO KK (JP) 1996-09-25 EP disclosed