SCHEMBL28330709

SCHEMBL28330709

CC(S)C(=O)O.CCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.42
TDP1 Q9NUW8 5/20 0.42
TSHR P16473 1/20 0.42
ACE P12821 2/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
PTGS2 P35354 1/20 0.38
PTGS1 P23219 1/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ABCB11 O95342 1/20 0.36
F2 P00734 1/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36

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
SCHEMBL27558141 0.83 TDP1 (0.47) RNPEPTDP1TSHRALDH1A1MAPT
Alcohol SCHEMBL5477411 0.80
SCHEMBL946721 0.80 TDP1 (0.53) RNPEPTDP1TSHRACEALDH1A1
SCHEMBL2128694 0.80
SCHEMBL12149426 0.80
SCHEMBL15864 0.80
SCHEMBL17667485 0.78 RNPEP (0.38) RNPEPTDP1ACEALDH1A1MAPT
SCHEMBL15809468 0.78 RNPEP (0.38) RNPEPTDP1ACEALDH1A1MAPT
SCHEMBL17998002 0.78 GPR84 (0.36) RNPEPTDP1TSHRACEALDH1A1
SCHEMBL17998006 0.78 GPR84 (0.36) RNPEPTDP1TSHRACEALDH1A1

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-104854489-B Birefringent RM lens 默克专利股份有限公司 2019-09-17 CN disclosed