SCHEMBL22906808

SCHEMBL22906808

O=CCCC(C=O)N1Cc2cc(CCCO)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ VHL P40337 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL24421587 0.81 THRB (0.39) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27122864 0.73 SIGMAR1 (0.32) —
SCHEMBL27117909 0.73 SIGMAR1 (0.32) —
SCHEMBL24421581 0.72 THRB (0.41) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL23986739 0.71 LMNA (0.41) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL25515048 0.71 NHERF1 (0.42) MEN1KMT2A
SCHEMBL27262174 0.70 MEN1 (0.36) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16193397 0.70 ALOX15 (0.41) ALOX15MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL19116890 0.69 HDAC8 (0.30) —
SCHEMBL25031950 0.68 — —

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 — — WO disclosed
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