SCHEMBL6939976

SCHEMBL6939976

COC(=O)C(CCC(C)C)COCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ FOLH1 Q04609 1/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ MIF P14174 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MME P08473 1/20 0.42
▸ PSMB11 A5LHX3 1/20 0.42
▸ PSMD11 O00231 1/20 0.42
▸ PSMD12 O00232 1/20 0.42

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
SCHEMBL31075397 0.81 SLC1A1 (0.45) SLC1A1KMT2AFOLH1CTSSALDH1A1
SCHEMBL1195693 0.80 KMT2A (0.49) SLC1A1KMT2AFOLH1CTSLCTSS
SCHEMBL4906646 0.80 KMT2A (0.49) SLC1A1KMT2AFOLH1CTSLCTSS
SCHEMBL4909047 0.80 KMT2A (0.49) SLC1A1KMT2AFOLH1CTSLCTSS
SCHEMBL13535255 0.79 SLC1A1 (0.48) SLC1A1KMT2AFOLH1MIFMAPT
SCHEMBL13535259 0.78 SLC1A1 (0.50) SLC1A1KMT2AMAPTALDH1A1CA1
SCHEMBL30231867 0.77 CA1 (0.51) SLC1A1KMT2AFOLH1MIFALDH1A1
SCHEMBL13733023 0.77 CA1 (0.51) SLC1A1KMT2AFOLH1MIFALDH1A1
SCHEMBL29097257 0.77 CA1 (0.51) SLC1A1KMT2AFOLH1MIFALDH1A1
SCHEMBL13733029 0.77 CA1 (0.51) SLC1A1KMT2AFOLH1MIFALDH1A1

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-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 — — WO disclosed
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