SCHEMBL5326410

SCHEMBL5326410

CC(C)C1CCC(CC(C)(C)C(=O)OC(=O)C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
HCRTR2 O43614 1/20 0.31
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 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
SCHEMBL5326409 0.95 THRA (0.38) THRATHRBHCRTR2ROCK2ROCK1
SCHEMBL5322016 0.75 ROCK2 (0.36) HCRTR2ROCK2ROCK1
SCHEMBL26355344 0.71 THRA (0.39) THRATHRB
SCHEMBL9939580 0.70 THRA (0.40) THRATHRB
SCHEMBL25010777 0.70 THRA (0.32) THRATHRB
SCHEMBL13246740 0.69 MAPT (0.40) HCRTR2
SCHEMBL21363305 0.66 MMP8 (0.38)
SCHEMBL20979085 0.66 SLC1A3 (0.33)
SCHEMBL13267646 0.66 MAPT (0.43) ROCK2ROCK1
SCHEMBL24370551 0.66 PLA2G10 (0.38) HCRTR2

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
WO-2007135533-A1 PROCESS FOR PREPARING NATEGLINIDE B-TYPE CRYSTALS AUROBINDO PHARMA LIMITED (IN) 2007-11-29 WO claimed
WO-2007135533-A1 PROCESS FOR PREPARING NATEGLINIDE B-TYPE CRYSTALS AUROBINDO PHARMA LIMITED (IN) 2007-11-29 WO disclosed