SCHEMBL28068569

SCHEMBL28068569

C=CCCCC(=O)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
FAAH O00519 4/20 0.39
MGLL Q99685 2/20 0.39
MAPT P10636 3/20 0.38
ABCC4 O15439 1/20 0.38
USP2 O75604 2/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
HCAR2 Q8TDS4 1/20 0.34
TSHR P16473 4/20 0.33
HPGD P15428 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
SCHEMBL515890 0.81 LMNA (0.55) LMNAALDH1A1FAAHMGLLMAPT
SCHEMBL16046615 0.77 TSHR (0.46) LMNAMAPTSMN1; SMN2HCAR2TSHR
SCHEMBL1088731 0.76 CES1 (0.54) LMNAALDH1A1FAAHMAPTTSHR
SCHEMBL7642361 0.76 TSHR (0.37) LMNASMN1; SMN2HCAR2TSHR
SCHEMBL514945 0.76 LMNA (0.61) LMNAALDH1A1FAAHMGLLMAPT
SCHEMBL4974869 0.76 FAAH (0.57) LMNAALDH1A1FAAHMAPTABCC4
SCHEMBL7640159 0.75 LMNA (0.62) LMNAALDH1A1FAAHMAPT
SCHEMBL7641001 0.75 CA1 (0.41) LMNATSHR
SCHEMBL3112597 0.74 LMNA (0.65) LMNAALDH1A1FAAHMGLLMAPT
SCHEMBL3122706 0.74 LMNA (0.65) LMNAALDH1A1FAAHMGLLMAPT

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-105753834-A Synthesis method of rosuvastatin calcium key chiral intermediate 河南师范大学 2016-07-13 CN disclosed