SCHEMBL30157983

SCHEMBL30157983

COc1ccccc1CCNC(=O)CC1CCC(=O)N1Cc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ KMT2A Q03164 4/20 0.50
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ BCHE P06276 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45

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
SCHEMBL30157722 0.88 GAA (0.63) GAAKMT2AHTTBCHEACHE
SCHEMBL30157568 0.87 GAA (0.52) GAAKMT2AHTTBCHEACHE
SCHEMBL30157769 0.87 GAA (0.52) GAAKMT2AHTTMEN1BCHE
SCHEMBL30157373 0.86 KMT2A (0.58) GAAKMT2AALDH1A1LMNAHPGD
SCHEMBL30157585 0.85 HTT (0.58) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL30157966 0.85 KMT2A (0.58) GAAKMT2AHTTMEN1ALDH1A1
SCHEMBL30158635 0.85 POLB (0.57) GAAKMT2AHTTBCHEACHE
SCHEMBL30157593 0.83 KMT2A (0.52) GAAKMT2AHTTMEN1BCHE
SCHEMBL30157321 0.82 KMT2A (0.53) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL30157475 0.82 KMT2A (0.57) GAAKMT2AHTTMEN1ALDH1A1

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
Send feedback