SCHEMBL30157555

SCHEMBL30157555

Cc1ccccc1CN1C(=O)CCC1CC(=O)NS(C)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.52
▸ GAA P10253 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ PTGER4 P35408 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL30157811 0.90 P2RX7 (0.42) P2RX7GAACYP2D6CYP2C9CYP2C19
SCHEMBL30157493 0.84 P2RX7 (0.54) P2RX7GAACYP2D6CYP2C9CYP2C19
SCHEMBL30157616 0.84 P2RX7 (0.53) P2RX7PTGER4ALDH1A1
SCHEMBL30157730 0.84 P2RX7 (0.53) P2RX7PTGER4ALDH1A1
SCHEMBL30157801 0.84 P2RX7 (0.42) P2RX7PTGER4
SCHEMBL30158098 0.84 P2RX7 (0.53) P2RX7PTGER4ALDH1A1
SCHEMBL30158003 0.83 P2RX7 (0.56) P2RX7GAACYP2D6CYP2C9CYP2C19
SCHEMBL30157399 0.82 KMT2A (0.55) GAACYP2C9CYP2C19MAPTHTT
SCHEMBL30157832 0.80 KMT2A (0.44) P2RX7GAAMAPTKMT2APTGER4
SCHEMBL30157492 0.80 KMT2A (0.44) P2RX7GAACYP2D6CYP2C9CYP2C19

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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