SCHEMBL9305521

SCHEMBL9305521

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 3/20 0.40
SLC6A1 P30531 2/20 0.40
KMT2A Q03164 2/20 0.39
ACP3 P15309 3/20 0.38
KIF11 P52732 5/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL9306492 0.83 SLC6A11 (0.45) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL9305860 0.82 SLC6A11 (0.41) SLC6A11SLC6A1KMT2AACP3KIF11
SCHEMBL9305514 0.80 SLC6A11 (0.43) SLC6A11SLC6A1KMT2AACP3KIF11
SCHEMBL21449652 0.76 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AACP3KIF11
SCHEMBL21449650 0.76 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AACP3KIF11
SCHEMBL14655782 0.76 SLC6A11 (0.37) SLC6A11SLC6A1KMT2AACP3KIF11
SCHEMBL9070312 0.74 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL7010042 0.74 SLC6A11 (0.46) SLC6A11SLC6A1KMT2AKIF11MEN1
SCHEMBL26972218 0.73 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AACP3KIF11
SCHEMBL26972219 0.73 SLC6A11 (0.40) SLC6A11SLC6A1KMT2AACP3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5332845-A In DNA synthesis CHIRON CORPORATION (US) 1994-07-26 US claimed
US-5252760-A Method of using colored phosphorylating reagents CHIRON CORPORATION (US) 1993-10-12 US claimed
US-5332845-A In DNA synthesis CHIRON CORPORATION (US) 1994-07-26 US disclosed
US-5252760-A Method of using colored phosphorylating reagents CHIRON CORPORATION (US) 1993-10-12 US disclosed