SCHEMBL9080280

SCHEMBL9080280

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

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TBXA2R P21731 1/20 0.39
TSHR P16473 1/20 0.39
MGLL Q99685 3/20 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
SCHEMBL9080283 0.94 CA2 (0.50) CA2LMNAPOLBMGLL
SCHEMBL15455407 0.91 ALDH1A1 (0.50) CA2LMNAPOLBALDH1A1TBXA2R
SCHEMBL21135532 0.91 CA2 (0.50) CA2LMNAPOLBMGLL
SCHEMBL19301013 0.88 CA2 (0.53) CA2LMNAPOLBALDH1A1
SCHEMBL13047224 0.87 CA2 (0.47) CA2LMNAPOLB
SCHEMBL21136085 0.86 CA2 (0.46) CA2LMNAPOLB
SCHEMBL5936343 0.84 LPAR1 (0.51)
SCHEMBL31520002 0.84 LPAR1 (0.51)
SCHEMBL6805094 0.84 LPAR1 (0.51)
SCHEMBL8277024 0.84 LPAR1 (0.51)

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