SCHEMBL17860797

SCHEMBL17860797

O=C(OC[C@@]1(C(F)F)OC(OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.36
▸ ABCB1 P08183 8/20 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
▸ KMT2A Q03164 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.34
▸ HTR3B O95264 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ HTR3D Q70Z44 1/20 0.34
▸ HTR3C Q8WXA8 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
SCHEMBL17863953 1.00 MAPT (0.41) MAPTMAPK1HIF1AALDH1A1TDP1
SCHEMBL25398613 0.81 MAPT (0.41) MAPTMAPK1HIF1AALDH1A1TDP1
SCHEMBL14853753 0.81 ABCB1 (0.45) MAPTMAPK1HIF1AALDH1A1ABCB1
SCHEMBL17860798 0.79 POLB (0.42) MAPTTDP1KMT2AMEN1USP2
SCHEMBL17861870 0.79 HTR3E (0.37) LGALS9LGALS1LGALS3LGALS7; LGALS7BLMNA
SCHEMBL17863951 0.78 MAPT (0.35) MAPTABCB1
SCHEMBL20227072 0.78 ALDH1A1 (0.40) ALDH1A1ABCB1
SCHEMBL4283223 0.77 ABCB1 (0.44) MAPTALDH1A1ABCB1
SCHEMBL4283219 0.77 ABCB1 (0.44) MAPTALDH1A1ABCB1
SCHEMBL3975101 0.77 ABCB1 (0.42) MAPTABCB1

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-2016100569-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2016-06-23 — — WO disclosed
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