SCHEMBL27742575

SCHEMBL27742575

CC(=O)OCCc1cc(O[Si](C)(C)C(C)(C)C)ccc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.40
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA9 Q16790 4/20 0.36
SLC18A3 Q16572 2/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APP P05067 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 1/20 0.30
CNR2 P34972 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 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
SCHEMBL27742489 0.82 PREP (0.41) PREPCA12CA1CA9HSP90AA1
SCHEMBL4182936 0.82 CA12 (0.36) PREPCA12CA1CA9HSP90AA1
SCHEMBL4187296 0.80 DRD2 (0.43) PREPCA12CA1CA9HSP90AA1
SCHEMBL27742545 0.76 TYR (0.41) CA12CA1CA9SLC18A3ALDH1A1
SCHEMBL15876126 0.76 CA12 (0.39) PREPCA12CA1CA9HSP90AA1
SCHEMBL27721793 0.76 PPARA (0.39) PREPCA12CA1CA9HSP90AA1
SCHEMBL19696788 0.75 CNR2 (0.41) GAAALDH1A1CNR2
SCHEMBL6434340 0.71 CA12 (0.39) PREPCA12CA1CA9HSP90AA1
SCHEMBL6435288 0.71 MTNR1A (0.37) PREPCA12CA1CA9HSP90AA1
SCHEMBL6433452 0.71 MTNR1A (0.37) PREPCA12CA1CA9HSP90AA1

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
CN-101304993-A Compounds and compositions as ppar modulators IRM LLC (BM) 2008-11-12 CN disclosed