SCHEMBL28330708

SCHEMBL28330708

CCCOC(=O)C(C)C(C)(C)S

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.33
GRM1 Q13255 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RAB9A P51151 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
SCHEMBL803788 0.83 GRM1 (0.38) HCAR2ALDH1A1LMNAGRM1ESR1
SCHEMBL803570 0.83 GRM1 (0.38) HCAR2ALDH1A1LMNAGRM1ESR1
SCHEMBL6116527 0.77 HCAR2 (0.36) HCAR2ALDH1A1LMNAGRM1ESR1
SCHEMBL4672255 0.76 HCAR2 (0.39) HCAR2ALDH1A1LMNAGRM1KDM4E
SCHEMBL27791483 0.73 NAAA (0.48) HCAR2ALDH1A1LMNATSHR
SCHEMBL2135774 0.73
SCHEMBL25387244 0.72 HCAR2 (0.43) HCAR2ALDH1A1LMNAKDM4EGLA
SCHEMBL101436 0.72
SCHEMBL4686450 0.72
SCHEMBL4206328 0.72 HCAR2 (0.43) HCAR2ALDH1A1LMNAKDM4EGLA

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