SCHEMBL6829016

SCHEMBL6829016

CCOC(=O)OC1CSC(c2ccccc2)=N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GSK3B P49841 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 2/20 0.37

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
SCHEMBL5914830 0.78 TSHR (0.46) TRPM8CDC7DBF4MAPTRAB9A
SCHEMBL8831892 0.78 TSHR (0.46) TRPM8CDC7DBF4MAPTRAB9A
SCHEMBL16585413 0.72 RARA (0.44) TRPM8CDC7DBF4MAPTRAB9A
SCHEMBL14481262 0.68 MAPT (0.44) TRPM8DRD2DRD4DRD3MAPT
SCHEMBL6825809 0.68 ALOX5 (0.44) ALOX5TRPM8CDC7DBF4MAPT
SCHEMBL1683655 0.67 HTR2B (0.49) DRD2DRD4DRD3MAPTRAB9A
SCHEMBL723266 0.67 HTR2B (0.49) DRD2DRD4DRD3MAPTRAB9A
SCHEMBL12130911 0.67 DPP4 (0.43) MAPTALDH1A1LMNAHPGDTSHR
SCHEMBL13885706 0.67 MAPT (0.46) TRPM8MAPTALDH1A1KDM4ELMNA
SCHEMBL5622788 0.65 MAPT (0.49) MAPTRAB9AALDH1A1KDM4ENPC1

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-2004092119-A2 METHOD FOR PRODUCING ALPHA-METHYLATED CYSTEINE AND SERINE DERIVATIVES Consortium für elektrochemische Industrie GmbH (DE) 2004-10-28 WO disclosed