SCHEMBL9234505

SCHEMBL9234505

CCOC(=O)C(C)(C)C(O)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MAPT P10636 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ FBP1 P09467 1/20 0.41
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RIPK1 Q13546 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL9233700 0.82 CES2 (0.45) CES2CES1POLBRIPK1
SCHEMBL9237431 0.80 CES2 (0.49) CES2CES1HTTRIPK1
SCHEMBL8229151 0.79 CES2 (0.55) CES2CES1MAPTPOLBRAB9A
SCHEMBL9366709 0.77 MAPT (0.49) CES2CES1MAPTPOLBRAB9A
SCHEMBL31294766 0.75 CES2 (0.44) CES2CES1MAPTPOLBRAB9A
SCHEMBL17168993 0.75 MAPT (0.44) CES2CES1MAPTPOLBRAB9A
SCHEMBL19183203 0.75 MAPT (0.44) CES2CES1MAPTPOLBRAB9A
SCHEMBL29622932 0.74 FBP1 (0.39) MAPTPOLBRAB9AFBP1HTT
SCHEMBL29571136 0.74 PPARA (0.42) MAPTFBP1ALDH1A1TSHR
SCHEMBL21857875 0.74 FBP1 (0.39) MAPTPOLBRAB9AFBP1HTT

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
EP-0670315-A1 Triazole oxime derivatives having antimycotic acitivity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 — — EP disclosed
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