SCHEMBL30157718

SCHEMBL30157718

O=C(NCc1ccccc1)C1CC(=O)N(C2CCC2)C1

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.93
LMNA P02545 1/20 0.93
HTT P42858 1/20 0.93
KMT2A Q03164 4/20 0.74
ALDH1A1 P00352 8/20 0.73
MEN1 O00255 1/20 0.73
TSHR P16473 2/20 0.71
CYP2C9 P11712 2/20 0.65
CYP2D6 P10635 2/20 0.65
GAA P10253 1/20 0.65
CYP3A4 P08684 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP1A2 P05177 1/20 0.63
CASP1 P29466 1/20 0.63
CASP7 P55210 1/20 0.63
USP2 O75604 1/20 0.62
HPGD P15428 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL30157903 0.88 ALDH1A1 (0.73) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL30157691 0.88 ALDH1A1 (0.73) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL30157765 0.85 ALDH1A1 (0.98) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL30157599 0.84 P2RX7 (0.71) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL29354824 0.84 ALDH1A1 (0.79) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL30157978 0.82 ALDH1A1 (0.89) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL30157766 0.82 CYP3A4 (0.73) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL30157997 0.81 SMN1; SMN2 (0.64) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL30157792 0.81 TSHR (0.65) SMN1; SMN2LMNAHTTKMT2AALDH1A1
SCHEMBL30157665 0.81 KMT2A (0.75) SMN1; SMN2LMNAHTTKMT2AALDH1A1

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