SCHEMBL30157715

SCHEMBL30157715

COC(=O)CC1CCC(=O)N1Cc1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ P2RX7 Q99572 14/20 0.43
▸ PER2 O15055 2/20 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
SCHEMBL30862578 0.86 RIPK1 (0.38) P2RX7
SCHEMBL31705310 0.86 RAB9A (0.45) ALDH1A1P2RX7
SCHEMBL31705797 0.82 KMT2A (0.48) P2RX7
SCHEMBL30862582 0.82 P2RX7 (0.54) P2RX7
SCHEMBL30158069 0.82 P2RX7 (0.54) P2RX7
SCHEMBL30157523 0.82 KMT2A (0.48) P2RX7
SCHEMBL30157815 0.81 KMT2A (0.44) ALDH1A1P2RX7
SCHEMBL30158776 0.80 P2RX7 (0.46) ALDH1A1P2RX7
SCHEMBL31706022 0.80 P2RX7 (0.44) P2RX7
SCHEMBL30157644 0.80 ALDH1A1 (0.39) ALDH1A1TDP1P2RX7PER2

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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