SCHEMBL30157730

SCHEMBL30157730

CS(=O)(=O)NC(=O)CC1CCC(=O)N1Cc1cccc(F)c1F

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.53
CXCL8 P10145 1/20 0.39
PTGER4 P35408 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL30158098 1.00 P2RX7 (0.53) P2RX7CXCL8PTGER4ALDH1A1
SCHEMBL30157616 1.00 P2RX7 (0.53) P2RX7CXCL8PTGER4ALDH1A1
SCHEMBL30158003 0.91 P2RX7 (0.56) P2RX7ALDH1A1
SCHEMBL30157611 0.91 P2RX7 (0.55) P2RX7
SCHEMBL30157588 0.89 P2RX7 (0.51) P2RX7
SCHEMBL30157707 0.89 P2RX7 (0.51) P2RX7
SCHEMBL30157984 0.89 P2RX7 (0.50) P2RX7ALDH1A1
SCHEMBL30157919 0.88 P2RX7 (0.49) P2RX7
SCHEMBL30157618 0.88 P2RX7 (0.49) P2RX7ALDH1A1
SCHEMBL31551230 0.87 P2RX7 (0.46) P2RX7ALDH1A1

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