SCHEMBL16301550

SCHEMBL16301550

CC[C@H](CCC(=O)OC)NO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.48
SLC1A1 P43005 1/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CA12 O43570 4/20 0.36
LMNA P02545 3/20 0.36
CA14 Q9ULX7 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
MGAM O43451 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
SCHEMBL14733495 0.83 TSHR (0.48) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL9606840 0.76 TSHR (0.55) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL3685300 0.74 TSHR (0.52) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL7711607 0.74 TSHR (0.52) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL12951352 0.74 TSHR (0.52) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL23487152 0.73 CTSK (0.43) CA12CA14CA1CA2HTT
SCHEMBL31362911 0.73 CTSK (0.43) CA12CA14CA1CA2HTT
SCHEMBL11370272 0.72 TSHR (0.50) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL15827818 0.72 TSHR (0.50) TSHRSLC1A1KMT2AMEN1L3MBTL1
SCHEMBL11360491 0.72 TSHR (0.50) TSHRSLC1A1KMT2AMEN1L3MBTL1

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-2012016188-A2 METHODS AND COMPOSITIONS FOR DELIVERY OF ACTIVE AGENTS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed