SCHEMBL9815564

SCHEMBL9815564

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LGALS9 O00182 1/20 0.36
▸ LGALS1 P09382 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ LGALS7; LGALS7B P47929 1/20 0.36
▸ ABCB1 P08183 8/20 0.36
▸ LMNA P02545 1/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAPDH P04406 1/20 0.34

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
SCHEMBL9815624 0.90 LGALS3 (0.44) MAPTALDH1A1MEN1USP2POLB
SCHEMBL5487798 0.79 ABCB1 (0.44) ABCB1
SCHEMBL5487793 0.79 ABCB1 (0.44) ABCB1
SCHEMBL14110281 0.78 MAPT (0.48) MAPTALDH1A1MEN1USP2POLB
SCHEMBL14110284 0.78 MAPT (0.48) MAPTALDH1A1MEN1USP2POLB
SCHEMBL10425581 0.77 MAPT (0.55) MAPTALDH1A1MEN1USP2POLB
SCHEMBL14397682 0.76 MAPT (0.44) MAPTALDH1A1MEN1USP2POLB
SCHEMBL3944507 0.76 MAPT (0.44) MAPTALDH1A1MEN1USP2POLB
SCHEMBL3944510 0.76 MAPT (0.44) MAPTALDH1A1MEN1USP2POLB
SCHEMBL14680922 0.74 MAPT (0.50) MAPTALDH1A1MEN1USP2POLB

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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