SCHEMBL27997342

SCHEMBL27997342

CCC(CC)CCC(=O)OCC1CCOC(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
ENPP2 Q13822 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL29983676 0.77 PDK1 (0.39) LMNAPOLBALDH1A1CYP3A4
SCHEMBL29984022 0.77 PDK1 (0.39) LMNAPOLBALDH1A1CYP3A4
SCHEMBL13642031 0.72 HMGCR (0.36)
SCHEMBL19301013 0.71 CA2 (0.53) LMNAPOLBALDH1A1
SCHEMBL11161746 0.71 CA2 (0.41) LMNAPOLBLPAR1LPAR3ENPP2
SCHEMBL2297204 0.71 CA2 (0.49) LMNAPOLBLPAR1LPAR3ENPP2
SCHEMBL14307904 0.71 KCNH2 (0.38) LMNAPOLBALDH1A1TSHR
SCHEMBL17854689 0.70 ALDH1A1 (0.46) ALDH1A1LPAR1LPAR3CYP3A4TSHR
SCHEMBL9080283 0.69 CA2 (0.50) LMNAPOLBLPAR1LPAR3
SCHEMBL21135532 0.69 CA2 (0.50) LMNAPOLBLPAR1LPAR3ENPP2

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-104293849-A Preparation method of rosuvastatin calcium CHANGZHOU JINLONG BIOLOG PHARMACEUTICAL CO LTD 2015-01-21 CN disclosed