SCHEMBL26600928

SCHEMBL26600928

O=C(OCC1(OC(=O)c2ccccc2)OC(C(F)(F)F)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ABCB1 P08183 9/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ LGALS9 O00182 1/20 0.34
▸ LGALS1 P09382 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS7; LGALS7B P47929 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL3944507 0.84 MAPT (0.44) MAPTMAPK1HIF1AABCB1TDP1
SCHEMBL3944510 0.84 MAPT (0.44) MAPTMAPK1HIF1AABCB1TDP1
SCHEMBL14397682 0.84 MAPT (0.44) MAPTMAPK1HIF1AABCB1TDP1
SCHEMBL10425581 0.83 MAPT (0.55) MAPTMAPK1HIF1AABCB1TDP1
SCHEMBL25398613 0.74 MAPT (0.41) MAPTMAPK1HIF1AABCB1TDP1
SCHEMBL9815624 0.73 LGALS3 (0.44) MAPTABCB1LGALS9LGALS1LGALS3
SCHEMBL17863953 0.72 MAPT (0.41) MAPTMAPK1HIF1AABCB1TDP1
SCHEMBL17860797 0.72 MAPT (0.41) MAPTMAPK1HIF1AABCB1TDP1
SCHEMBL9815564 0.72 MAPT (0.41) MAPTABCB1TDP1LGALS9LGALS1
SCHEMBL14853753 0.71 ABCB1 (0.45) MAPTMAPK1HIF1AABCB1ALDH1A1

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
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 — — WO disclosed
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