SCHEMBL30158593

SCHEMBL30158593

CC[C@H](C)[C@H](NC(=O)C[C@@H]1CCC(=O)N1Cc1cccc(F)c1F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 12/20 0.50
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ FPR2 P25090 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31551291 0.92 P2RX7 (0.50) P2RX7GPR119POLB
SCHEMBL30862575 0.88 P2RX7 (0.47) P2RX7MEN1KMT2AGPR119POLB
SCHEMBL30158514 0.88 MEN1 (0.43) P2RX7MEN1KMT2AL3MBTL1
SCHEMBL30157264 0.88 P2RX7 (0.54) P2RX7GPR119
SCHEMBL30158536 0.88 P2RX7 (0.48) P2RX7GPR119POLB
SCHEMBL30158638 0.88 P2RX7 (0.48) P2RX7GPR119POLB
SCHEMBL31551258 0.87 P2RX7 (0.45) P2RX7GPR119POLB
SCHEMBL31551583 0.85 P2RX7 (0.44) P2RX7MEN1KMT2AGPR119POLB
SCHEMBL31551238 0.85 P2RX7 (0.43) P2RX7MEN1KMT2AGPR119POLB
SCHEMBL31551262 0.85 P2RX7 (0.52) P2RX7GPR119POLB

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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