SCHEMBL11548133

SCHEMBL11548133

C[C](C)CCCOC(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.34
GSK3B P49841 2/20 0.33
DEGS1 O15121 1/20 0.32
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL11551308 0.83
SCHEMBL15374640 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTTSHRL3MBTL1
SCHEMBL12981839 0.77
SCHEMBL4609242 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTTSHRL3MBTL1
SCHEMBL2735121 0.76 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTTSHRL3MBTL1
SCHEMBL23176125 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTTSHRL3MBTL1
SCHEMBL172715 0.75 ALDH1A1 (0.46) ALDH1A1TSHRLMNAKMT2AHSD17B10
SCHEMBL15750804 0.75 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTTSHRL3MBTL1
SCHEMBL5159311 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTTSHRL3MBTL1
SCHEMBL13864131 0.74 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTTSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004335-A2 Prostacyclin analogs, process and intermediates for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-03 EP disclosed
EP-0001270-A1 Analogues of prostacycline, methods for their preparation and their use in the treatment of circulatory diseases HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-04 EP disclosed