SCHEMBL13879174

SCHEMBL13879174

CCCCOC[C@@H]1CC(OCCCC)CC(=O)O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 3/20 0.39
PPARG P37231 2/20 0.35
PDK1 Q15118 1/20 0.35
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL13879079 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E
SCHEMBL13879188 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E
SCHEMBL10211081 1.00 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E
SCHEMBL14395329 0.84 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E
SCHEMBL20211423 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E
SCHEMBL9344214 0.79 ALDH1A1 (0.46) ALDH1A1TDP1LMNAKDM4ECYP1A2
SCHEMBL10154164 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E
SCHEMBL16020893 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E
SCHEMBL16020817 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E
SCHEMBL17613405 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1LMNAKDM4E

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-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 EP disclosed