SCHEMBL30158698

SCHEMBL30158698

O=C(O)CC1CCC(=O)N1Cc1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.44
SIGMAR1 Q99720 1/20 0.38
FFAR1 O14842 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
ITGB1 P05556 2/20 0.35
ITGA5 P08648 2/20 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
SCHEMBL24768897 0.88 P2RX7 (0.42) P2RX7ALDH1A1
SCHEMBL29103291 0.86 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL31551413 0.86 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL30158703 0.86 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL31706819 0.85 KMT2A (0.45) P2RX7SIGMAR1FFAR1ALDH1A1MEN1
SCHEMBL30158776 0.85 P2RX7 (0.46) P2RX7ALDH1A1KDM4E
SCHEMBL31705751 0.84 P2RX7 (0.43) P2RX7
SCHEMBL30158775 0.82 P2RX7 (0.53) P2RX7PTGER4PTGER3
SCHEMBL289842 0.81 P2RX7 (0.51) P2RX7SIGMAR1
SCHEMBL289410 0.81 P2RX7 (0.51) P2RX7SIGMAR1

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