SCHEMBL27513618

SCHEMBL27513618

CCC(O)CSCCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PLA2G4B P0C869 2/20 0.48
TSHR P16473 2/20 0.42
BHMT Q93088 3/20 0.40
FFAR4 Q5NUL3 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR3 O14843 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAP2K7 O14733 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 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
SCHEMBL10800375 0.83 LMNA (0.64) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL1104232 0.81 LMNA (0.54) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL29006020 0.79 LMNA (0.52) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL16715949 0.78 LMNA (0.56) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL14865692 0.76 PLA2G4B (0.55) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL19792798 0.76 LMNA (0.59) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL9087634 0.75 LMNA (0.52) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL12657077 0.75
SCHEMBL10796758 0.74 LMNA (0.64) LMNAKMT2AHSD17B10TDP1PLA2G4B
SCHEMBL2048131 0.74 TSHR (0.39) TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1253442-C Novel thiazine and pyrazine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 2006-04-26 CN disclosed
CN-1372553-A Novel thiazine or pyrazine derivatives SANTEN PHARMACEUTICAL CO LTD (JP) 2002-10-02 CN disclosed