SCHEMBL9813816

SCHEMBL9813816

CC(O)C1(C2CCCCC2)OC1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HSD11B1 P28845 2/20 0.34
PSMB5 P28074 4/20 0.33
APP P05067 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31

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
SCHEMBL9813673 0.64 HSD11B1 (0.40) LMNATSHRHSD11B1APPBACE1
SCHEMBL13442991 0.63 ATP1A1 (0.33)
SCHEMBL9525331 0.60
SCHEMBL5357561 0.60 ATP1A1 (0.34) LMNATSHR
SCHEMBL3687003 0.60 ATP1A1 (0.34) LMNATSHR
SCHEMBL6866727 0.59 LMNA (0.34) LMNATSHRHSD11B1APPBACE1
SCHEMBL6866723 0.59 LMNA (0.34) LMNATSHRHSD11B1APPBACE1
SCHEMBL9876785 0.59 LMNA (0.34) LMNATSHRHSD11B1APPBACE1
SCHEMBL8115022 0.58 LMNA (0.41) LMNATSHRHSD11B1APPBACE1
SCHEMBL17557382 0.58 LMNA (0.33) LMNATSHRAPPBACE1BACE2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219199-B1 METHOD FOR PREPARATION OF LACTONES COULSTON INTERNATIONAL CORPORATION (US) 1991-07-31 EP disclosed
US-4772728-A AND ALDEHYDE ANGUS CHEMICAL COMPANY (US) 1988-09-20 US disclosed
EP-0219199-A1 Method for preparation of lactones COULSTON INTERNATIONAL CORPORATION (US) 1987-04-22 EP disclosed