SCHEMBL14715673

SCHEMBL14715673

CC(C)OC(=O)OCCCOC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.36
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
NAAA Q02083 1/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL6831781 0.91 TSHR (0.36) TSHRLMNAALDH1A1
SCHEMBL13133071 0.90 TSHR (0.46) TSHRLMNAALDH1A1HCAR2CA12
SCHEMBL452059 0.89 ALDH1A1 (0.52) TSHRLMNAALDH1A1HCAR2ATM
SCHEMBL19500081 0.89 TSHR (0.37) TSHRLMNAALDH1A1HCAR2ATM
SCHEMBL23982990 0.88 NAAA (0.52) TSHRLMNAALDH1A1NAAA
SCHEMBL10087932 0.87 LMNA (0.52) TSHRLMNAALDH1A1HCAR2ATM
SCHEMBL18669142 0.87 ACHE (0.41) TSHRLMNAALDH1A1NAAA
SCHEMBL1558431 0.87 TSHR (0.36) TSHRLMNAALDH1A1HPGD
SCHEMBL29728734 0.87 TSHR (0.36) TSHRLMNAALDH1A1
SCHEMBL9110412 0.85 TSHR (0.34) TSHRLMNAALDH1A1NAAAHPGD

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-1898951-B1 PHARMACEUTICAL PREPARATION CONTAINING AN ANGIOTENSIN II RECEPTOR ANTAGONIST AND A CALCIUM CHANNEL BLOCKER DAIICHI SANKYO CO LTD (JP) 2013-02-27 EP disclosed