SCHEMBL21034430

SCHEMBL21034430

C=C(N)C(C)(C)CCC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.33
PAOX Q6QHF9 1/20 0.33
SLC15A2 Q16348 1/20 0.33
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL21035141 0.83 ALDH1A1 (0.45) ALDH1A1TDP1LMNAPAOXSLC15A2
SCHEMBL20663500 0.81
SCHEMBL11918240 0.75 ALDH1A1 (0.47) ALDH1A1TDP1LMNAPAOXSLC15A2
SCHEMBL2612046 0.73 ALDH1A1 (0.45) ALDH1A1TDP1LMNASLC15A2GAA
SCHEMBL23905225 0.70 TDP1 (0.32) ALDH1A1TDP1
SCHEMBL681141 0.69
SCHEMBL12640188 0.69 ALDH1A1 (0.53) ALDH1A1TDP1LMNAPAOXSLC15A2
SCHEMBL5911694 0.68 ALDH1A1 (0.39) ALDH1A1LMNASLC15A2GAA
SCHEMBL21943798 0.68 ACLY (0.32)
SCHEMBL11913941 0.68 CYP1A2 (0.41) ALDH1A1TDP1LMNASLC15A2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904875-A1 METHODS FOR DETERMINING DRUG EFFICACY USING IKZF3 (AIOLOS) Celgene Corporation (US) 2021-11-03 EP disclosed
EP-3489682-A1 METHODS FOR DETERMINING DRUG EFFICACY USING IKZF3 (AIOLOS) Celgene Corporation (US) 2019-05-29 EP disclosed