SCHEMBL10423331

SCHEMBL10423331

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.41
SLC6A11 P48066 4/20 0.39
SLC6A1 P30531 2/20 0.39
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KIF11 P52732 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
SLC6A12 P48065 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
KDM1A O60341 1/20 0.33
CYP2C19 P33261 1/20 0.32
DRD2 P14416 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL10423647 0.93 MEN1 (0.38) TYMPMEN1KMT2AKIF11
SCHEMBL10423655 0.93 MEN1 (0.38) TYMPMEN1KMT2AKIF11
SCHEMBL10423644 0.89 TYMP (0.38) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL10423643 0.89 TYMP (0.38) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL14387754 0.87 TYMP (0.41) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL9694704 0.87 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL10423328 0.87 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL14029917 0.87 TYMP (0.41) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL9208332 0.87 TYMP (0.44) TYMPSLC6A11SLC6A1MEN1KMT2A
SCHEMBL9212681 0.87 TYMP (0.44) 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