SCHEMBL9685732

SCHEMBL9685732

COc1ccc(Cc2ccc3c(c2)[S+]([O-])CN3)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.42
PTGIR P43119 2/20 0.39
SLC2A1 P11166 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MPI P34949 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP17A1 P05093 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
IDO1 P14902 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 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
SCHEMBL8798735 0.84 PDE3B (0.41) ALDH1A1KDM4EPDE3BPDE3A
SCHEMBL9685993 0.83 TUBB4A (0.48) ALDH1A1
SCHEMBL9685655 0.81 DAO (0.33) LTA4HSIGMAR1
SCHEMBL9483334 0.76 ALDH1A1 (0.48) PTGIRALDH1A1
SCHEMBL9484787 0.76 ALDH1A1 (0.37) ALDH1A1PDE3BPDE3APDE10A
SCHEMBL22160843 0.74 LTA4H (0.52) LTA4HPTGIRSLC2A1SAE1UBA2
SCHEMBL27884 0.69 LTA4H (0.81) LTA4HSAE1UBA2ALDH1A1IDO1
SCHEMBL25986524 0.69 LTA4H (0.81) LTA4HSAE1UBA2ALDH1A1IDO1
SCHEMBL1425001 0.69 LTA4H (0.81) LTA4HSAE1UBA2ALDH1A1IDO1
SCHEMBL27256446 0.68 LTA4H (0.52) LTA4HPTGIRSLC2A1SAE1UBA2

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
US-5084469-A Analgesics ADIR ET COMPAGNIE (FR) 1992-01-28 US disclosed