SCHEMBL9815624

SCHEMBL9815624

COC1(COC(=O)c2ccccc2)O[C@H](CO)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 4/20 0.44
▸ LGALS9 O00182 3/20 0.44
▸ LGALS1 P09382 3/20 0.44
▸ LGALS7; LGALS7B P47929 2/20 0.44
▸ MAPT P10636 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.38
▸ SELP P16109 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABCB1 P08183 7/20 0.36
▸ LGALS8 O00214 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ LGALS4 P56470 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
SCHEMBL9815564 0.90 MAPT (0.41) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAPT
SCHEMBL21768322 0.83 EPHX2 (0.43) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAPT
SCHEMBL31506363 0.80 LGALS9 (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAPT
SCHEMBL5487793 0.80 ABCB1 (0.44) ABCB1
SCHEMBL5487798 0.80 ABCB1 (0.44) ABCB1
SCHEMBL14110281 0.79 MAPT (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAPT
SCHEMBL14110284 0.79 MAPT (0.48) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAPT
SCHEMBL10425581 0.78 MAPT (0.55) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAPT
SCHEMBL14397682 0.77 MAPT (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAPT
SCHEMBL3944510 0.77 MAPT (0.44) LGALS3LGALS9LGALS1LGALS7; LGALS7BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240175-B1 INOSOSE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1991-10-16 — — EP disclosed
US-4824943-A Inosose derivatives and production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-25 — — US disclosed
EP-0240175-A1 Inosose derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-10-07 — — EP disclosed
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