SCHEMBL9305514

SCHEMBL9305514

COc1ccc(C(OCCS(=O)(=O)CCOP(=O)(O)O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.43
SLC6A1 P30531 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
SLC6A12 P48065 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
ACP3 P15309 1/20 0.38
HSD11B1 P28845 1/20 0.37
KIF11 P52732 1/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL21449650 0.91 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL21449652 0.91 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL9305860 0.88 SLC6A11 (0.41) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL26972218 0.88 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL26972219 0.88 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL21449595 0.86 SLC6A11 (0.36) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL7010042 0.85 SLC6A11 (0.46) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL8655117 0.84 SLC6A11 (0.44) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL27013149 0.84 SLC6A11 (0.44) SLC6A11SLC6A1KMT2AMEN1TP53
SCHEMBL26972220 0.82 SLC6A11 (0.35) SLC6A11SLC6A1KMT2AMEN1TP53

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-5332845-A In DNA synthesis CHIRON CORPORATION (US) 1994-07-26 US disclosed