SCHEMBL30158884

SCHEMBL30158884

O=C(O)CC1CCC(=O)N1Cc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.54
▸ CAPN1 P07384 1/20 0.49
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ ATM Q13315 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL31706819 0.84 KMT2A (0.45) P2RX7KDM4EALDH1A1ATMMEN1
SCHEMBL289740 0.82 P2RX7 (0.61) P2RX7CAPN1KDM4EALDH1A1
SCHEMBL288664 0.82 P2RX7 (0.61) P2RX7CAPN1KDM4EALDH1A1
SCHEMBL30158775 0.82 P2RX7 (0.53) P2RX7
SCHEMBL31706123 0.81 HTT (0.54) P2RX7ALDH1A1TDP1GAAMEN1
SCHEMBL29103291 0.79 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL30158703 0.79 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL31551413 0.79 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL31706028 0.79 ITGB1 (0.47) P2RX7CAPN1
SCHEMBL30158612 0.78 P2RX7 (0.44) 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
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