SCHEMBL882633

SCHEMBL882633

CC(C)C[C@H](O)C(=O)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CYP19A1 P11511 1/20 0.34
LMNA P02545 2/20 0.33
FOLH1 Q04609 2/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
LAP3 P28838 2/20 0.32
KDM4E B2RXH2 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
SCHEMBL17027400 1.00 TSHR (0.40) TSHRRNPEPSLC7A5CYP19A1LMNA
SCHEMBL23408562 0.80 TSHR (0.36) TSHRLMNAMMEACE
SCHEMBL8742085 0.80 RNPEP (0.40) RNPEPSLC7A5LMNAFOLH1MME
SCHEMBL1979969 0.79 LAP3 (0.46) RNPEPSLC7A5FOLH1MMELAP3
SCHEMBL2626595 0.78 MME (0.42) RNPEPSLC7A5FOLH1MME
SCHEMBL28962638 0.78 TSHR (0.42) TSHRRNPEPSLC7A5CYP19A1LMNA
SCHEMBL3765857 0.78 TSHR (0.42) TSHRLMNATDP1HCAR2
SCHEMBL19525758 0.78 TSHR (0.42) TSHRRNPEPSLC7A5CYP19A1LMNA
SCHEMBL3420611 0.78 TSHR (0.42) TSHRLMNA
SCHEMBL7222915 0.78 TSHR (0.42) TSHRRNPEPSLC7A5CYP19A1LMNA

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
WO-2012040127-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed