SCHEMBL9080283

SCHEMBL9080283

CC1(C)OCC(COC(=O)CCCC(=O)OCC2COC(C)(C)O2)O1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
LPAR1 Q92633 3/20 0.38
LPAR3 Q9UBY5 3/20 0.38
MGLL Q99685 2/20 0.38

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
SCHEMBL21135532 0.97 CA2 (0.50) CA2LMNAPOLBLPAR1LPAR3
SCHEMBL9080280 0.94 CA2 (0.46) CA2LMNAPOLBMGLL
SCHEMBL19301013 0.93 CA2 (0.53) CA2LMNAPOLB
SCHEMBL13047224 0.92 CA2 (0.47) CA2LMNAPOLBLPAR1LPAR3
SCHEMBL21136085 0.91 CA2 (0.46) CA2LMNAPOLBLPAR1LPAR3
SCHEMBL5936343 0.90 LPAR1 (0.51) LPAR1LPAR3
SCHEMBL31520002 0.90 LPAR1 (0.51) LPAR1LPAR3
SCHEMBL8277024 0.90 LPAR1 (0.51) LPAR1LPAR3
SCHEMBL6805094 0.90 LPAR1 (0.51) LPAR1LPAR3
SCHEMBL2297204 0.89 CA2 (0.49) CA2LMNAPOLBLPAR1LPAR3

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
US-5575944-A Acetal-containing working fluid composition for refrigerating machine KAO CORPORATION (JP) 1996-11-19 US claimed