SCHEMBL9577387

SCHEMBL9577387

OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)C1SCCCS1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGAM O43451 5/20 0.33
KDM4E B2RXH2 2/20 0.33
PDE4A P27815 1/20 0.33
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL11942807 0.98 MAPT (0.53) MAPTTDP1LMNAL3MBTL1MGAM
SCHEMBL6689261 0.90 MAPT (0.56) MAPTTDP1LMNAL3MBTL1MGAM
SCHEMBL5696169 0.83 MAPT (0.48) MAPTTDP1LMNAL3MBTL1MGAM
Mannitol SCHEMBL7157899 0.69 LMNA (0.79) MAPTTDP1LMNAL3MBTL1MGAM
Mannitol SCHEMBL28122338 0.69 LMNA (0.79) MAPTTDP1LMNAL3MBTL1MGAM
Perseitol SCHEMBL23832483 0.69 TDP1 (1.00) MAPTTDP1LMNAL3MBTL1MGAM
Perseitol SCHEMBL6078811 0.69 TDP1 (1.00) MAPTTDP1LMNAL3MBTL1MGAM
Perseitol SCHEMBL11799710 0.69 TDP1 (1.00) MAPTTDP1LMNAL3MBTL1MGAM
SCHEMBL20838342 0.69 TDP1 (1.00) MAPTTDP1LMNAL3MBTL1MGAM
Perseitol SCHEMBL20567548 0.69 TDP1 (1.00) MAPTTDP1LMNAL3MBTL1MGAM

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
EP-0260121-B1 INOSOSE DERIVATIVES, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-5004838-A Inosose derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-04-02 US disclosed
US-4898986-A Inosose derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-06 US disclosed
EP-0260121-A2 Inosose derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1988-03-16 EP disclosed