Glucuronate

Glucuronate

SCHEMBL7746376

O=C(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.c1ccc2sccc2c1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
CES1 P23141 2/20 0.35
CYP2C8 P10632 1/20 0.35
POLB P06746 2/20 0.34
CASP6 P55212 1/20 0.34
SLC6A3 Q01959 1/20 0.33
SLC5A2 P31639 1/20 0.33
IDUA P35475 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
Anthracene SCHEMBL4516327 0.82 POLB (0.43) POLBCASP6IDUAMEN1KMT2A
Anthracene SCHEMBL4530438 0.82 POLB (0.43) POLBCASP6IDUAMEN1KMT2A
Dextrose SCHEMBL27294060 0.78 SLC5A2 (0.48) SLC6A3SLC5A2
Pyrene SCHEMBL4521971 0.77 KMT2A (0.41) CES1POLBIDUAMEN1KMT2A
Glucuronate SCHEMBL19410655 0.75 CES1 (0.44) CES1CYP2C8POLBIDUAMEN1
Benzothiophene SCHEMBL31094005 0.74 CTNNB1 (0.49) CTNNB1WNT3AMEN1KMT2AALDH1A1
Glucuronate SCHEMBL25253417 0.74 IDUA (0.50) IDUAALDH1A1HPGDKDM4EGLA
Glucuronate SCHEMBL21792734 0.74 IDUA (0.50) IDUAALDH1A1HPGDKDM4EGLA
Glucuronate SCHEMBL18913128 0.74 IDUA (0.50) IDUAALDH1A1HPGDKDM4EGLA
Glucuronate SCHEMBL22749019 0.74 IDUA (0.50) IDUAALDH1A1HPGDKDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001027129-A1 GLYCOSIDES AND ORTHOESTER GLYCOSIDES OF RALOXIFENE AND ANALOGUES AND THE USE THEREOF STRAKAN LIMITED (BM) 2001-04-19 WO disclosed
EP-0735141-A3 Process for preparation of benzo(b)thiophene glucuronides ELI LILLY AND COMPANY (US) 1998-03-04 EP disclosed
US-5563054-A CULTURING STREPTOMYCES IN NUTRIENT MEDIUM ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
US-5563054-A CULTURING STREPTOMYCES IN NUTRIENT MEDIUM ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0735141-A2 Process for preparation of benzo(b)thiophene glucuronides ELI LILLY AND COMPANY (US) 1996-10-02 EP disclosed
EP-0735141-A2 Process for preparation of benzo(b)thiophene glucuronides ELI LILLY AND COMPANY (US) 1996-10-02 EP disclosed