SCHEMBL30157483

SCHEMBL30157483

CCc1ccccc1CNC(=O)CC1CCC(=O)N1Cc1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.61
▸ KMT2A Q03164 1/20 0.55
▸ P2RX7 Q99572 9/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ GFER P55789 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 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
SCHEMBL30158715 0.90 GAA (0.59) GAAKMT2AP2RX7CYP3A4CYP2C9
SCHEMBL30157582 0.88 KMT2A (0.65) GAAKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL30157678 0.86 KMT2A (0.60) GAAKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL30157590 0.84 KMT2A (0.58) GAAKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL30157722 0.83 GAA (0.63) GAAKMT2AP2RX7CYP3A4CYP2C9
SCHEMBL30157285 0.82 KMT2A (0.50) GAAKMT2AP2RX7CYP3A4CYP2C9
SCHEMBL30157585 0.82 HTT (0.58) GAAKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL30157966 0.81 KMT2A (0.58) GAAKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL30157688 0.81 KMT2A (0.58) GAAKMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL30158132 0.81 KMT2A (0.54) GAAKMT2ACYP3A4CYP2C9CYP2C19

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
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