SCHEMBL8645514

SCHEMBL8645514

CC(=O)OC(C)C1CCCCOC1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
FKBP1A P62942 4/20 0.33
GRM2 Q14416 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 2/20 0.31
ACE P12821 1/20 0.31
SLC6A3 Q01959 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
SLC18A3 Q16572 1/20 0.30

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
SCHEMBL6547132 0.76 PIK3CD (0.35) POLBFKBP1AGRM2ACE
SCHEMBL28394560 0.76 CYP2D6 (0.46) POLBMAPK1TSHR
SCHEMBL2680079 0.75 POLB (0.36) POLBMAPK1TSHRSMN1; SMN2
SCHEMBL10077981 0.70 PIK3CD (0.36) POLBFKBP1A
SCHEMBL10115322 0.69 POLB (0.38) POLBGRM2MAPK1SMN1; SMN2
SCHEMBL28392227 0.69 MAPT (0.42) POLBSMN1; SMN2
SCHEMBL3414464 0.69 FKBP1A (0.39) FKBP1A
SCHEMBL11170830 0.68 TSHR (0.50) MAPK1TSHRSMN1; SMN2
SCHEMBL1051503 0.68 TSHR (0.50) MAPK1TSHRSMN1; SMN2
SCHEMBL873507 0.68 TSHR (0.50) MAPK1TSHRSMN1; SMN2

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
EP-0835251-A1 PROCESS FOR THE PRODUCTION OF LIPOIC ACID ASTA Medica Aktiengesellschaft (DE) 1998-04-15 EP disclosed