SCHEMBL9545838

SCHEMBL9545838

CCCCCCCCCCCCCOCc1ccc(CC(O[SiH](C)C)C(C)(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR5A1 Q13285 1/20 0.32
CES1 P23141 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL17027784 0.74
SCHEMBL17868802 0.74
SCHEMBL9468870 0.73 PLA2G4B (0.36) PLA2G4B
SCHEMBL9701765 0.72 TRPA1 (0.30)
SCHEMBL9185293 0.72 TRPA1 (0.40)
SCHEMBL19827229 0.71 TDP1 (0.46) PLA2G4BL3MBTL1TDP1NR5A1
SCHEMBL1836980 0.70 NR5A1 (0.61) PLA2G4BL3MBTL1TDP1NR5A1
SCHEMBL19837706 0.70 AGXT (0.45) PLA2G4BL3MBTL1TDP1NR5A1
SCHEMBL1836174 0.70 NR5A1 (0.61) PLA2G4BL3MBTL1TDP1NR5A1
SCHEMBL1837816 0.70 NR5A1 (0.61) PLA2G4BL3MBTL1TDP1NR5A1

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
WO-1993025521-A1 ARYL ALIPHATIC ACIDS BOARD OF GOVERNORS OF WAYNE STATE UNIVERSITY (US) 1993-12-23 WO disclosed