SCHEMBL28107449

SCHEMBL28107449

C[C](C=C(C)C(=O)O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
GRIK1 P39086 1/20 0.32
HPGD P15428 1/20 0.32
HSD11B1 P28845 1/20 0.31
GAA P10253 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
SCHEMBL6358584 0.83 CES2 (0.41) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4253407 0.80 CES2 (0.38) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4253413 0.80 CES2 (0.38) CES2CES1HDAC8HDAC6TSHR
SCHEMBL30447270 0.75 HTT (0.34) CES2CES1ALDH1A1KMT2AHSD11B1
SCHEMBL8595697 0.74 GRIK1 (0.44) CES2CES1TSHRALDH1A1GRIK1
SCHEMBL111090 0.74 GRIK1 (0.44) CES2CES1TSHRALDH1A1GRIK1
SCHEMBL36412 0.74 GRIK1 (0.44) CES2CES1TSHRALDH1A1GRIK1
SCHEMBL1244582 0.74 GRIK1 (0.44) CES2CES1TSHRALDH1A1GRIK1
SCHEMBL1245246 0.74 GRIK1 (0.44) CES2CES1TSHRALDH1A1GRIK1
SCHEMBL643109 0.74 GRIK1 (0.44) CES2CES1TSHRALDH1A1GRIK1

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
CN-103313853-B Laminate F顾问株式会社 2016-10-12 CN disclosed