SCHEMBL7715113

SCHEMBL7715113

CC(C)(C)[Si](Oc1ccc2c(c1)C(O)CC2)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CHRM4 P08173 3/20 0.38
HTR7 P34969 3/20 0.38
DRD2 P14416 1/20 0.38
ACHE P22303 5/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP19A1 P11511 4/20 0.33
GFRA3 O60609 1/20 0.33
RET P07949 1/20 0.33
CYP11B1 P15538 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL7259713 1.00 HCRTR1 (0.39) HCRTR1HCRTR2CHRM4HTR7DRD2
SCHEMBL7263724 0.85 ACHE (0.48) ACHEKDM1AMAOAMAOBCYP19A1
SCHEMBL7715098 0.85 ACHE (0.48) ACHEKDM1AMAOAMAOBCYP19A1
SCHEMBL8620705 0.83 MTNR1A (0.34) ACHEKDM1AMAOAMAOB
SCHEMBL8617783 0.81 MTNR1A (0.39) ACHEKDM1AMAOAMAOB
SCHEMBL8636781 0.79 MAPK1 (0.36) HTR7ACHEKDM1AMAOAMAOB
SCHEMBL8647745 0.77 MAPK1 (0.39) ACHEKDM1AMAOAMAOB
SCHEMBL178121 0.76 PPARA (0.38) DRD2CYP19A1
SCHEMBL7717533 0.74 MTNR1B (0.35) ACHE
SCHEMBL7717534 0.74 MTNR1B (0.35) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed