Sugi Predict

Sugi Predict / Compounds / SCHEMBL22624366

SCHEMBL22624366

SCHEMBL22624366

NNC(=O)C=C1CCCCCCCCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL12629554 0.77 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2377735 0.73 MAOA (0.32) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21017432 0.72 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5022005 0.71 MME (0.37) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL16488377 0.70 ITGB3 (0.36) ALDH1A1CYP1A2CYP2C19
SCHEMBL1308184 0.70 ITGB3 (0.36) ALDH1A1CYP1A2CYP2C19
SCHEMBL30601862 0.70 ITGB3 (0.36) ALDH1A1CYP1A2CYP2C19
SCHEMBL12629591 0.70 ITGB3 (0.36) ALDH1A1CYP1A2CYP2C19
SCHEMBL16864083 0.70 — —
SCHEMBL5022003 0.69 HDAC3 (0.33) —

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-2020223538-A1 SUBSTITUTED CYCLOALKYLS AS MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2020-11-05 — — WO disclosed