SCHEMBL10423328

SCHEMBL10423328

COc1ccc(C(OC[C@H]2OC(OC)C[C@@H]2O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.44
SLC6A11 P48066 4/20 0.40
SLC6A1 P30531 2/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC6A12 P48065 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
KIF11 P52732 5/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL9212681 1.00 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL9208332 1.00 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL9843683 0.93 TYMP (0.46) TYMPMEN1KMT2AKIF11
SCHEMBL9843677 0.93 TYMP (0.46) TYMPMEN1KMT2AKIF11
SCHEMBL10423331 0.87 TYMP (0.41) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL13374762 0.87 TYMP (0.45) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL13255807 0.87 TYMP (0.45) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL13329987 0.87 TYMP (0.45) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL15338547 0.86 TYMP (0.41) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL13010077 0.86 TYMP (0.41) TYMPSLC6A11SLC6A1MEN1KMT2A

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-4898936-A ANTITUMOR AGENTS PCR, INC. (US) 1990-02-06 US disclosed