SCHEMBL30158686

SCHEMBL30158686

O=C(O)CC1CCC(=O)N1Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 4/20 0.38
▸ P2RX7 Q99572 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ GYS1 P13807 1/20 0.34
▸ GRIN2D O15399 3/20 0.33
▸ GRIN3B O60391 3/20 0.33
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2A Q12879 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ GRIN2C Q14957 3/20 0.33
▸ GRIN3A Q8TCU5 3/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL30158802 0.88 P2RX7 (0.39) P2RX7TSHRHCRTR1HCRTR2KMT2A
SCHEMBL30158611 0.87 ALDH1A1 (0.50) P2RX7ALDH1A1TSHRL3MBTL1HCRTR1
SCHEMBL30158699 0.87 ALDH1A1 (0.50) P2RX7ALDH1A1TSHRL3MBTL1HCRTR1
SCHEMBL24809891 0.83 RIPK1 (0.40) P2RX7FFAR4
SCHEMBL31551184 0.83 RIPK1 (0.40) P2RX7FFAR4
SCHEMBL30158586 0.82 HCRTR2 (0.49) P2RX7ALDH1A1TSHRHCRTR1HCRTR2
SCHEMBL30158612 0.82 P2RX7 (0.44) P2RX7ALDH1A1TSHRL3MBTL1HCRTR1
SCHEMBL31705306 0.81 KMT2A (0.48) P2RX7HCRTR1HCRTR2KMT2A
SCHEMBL30158747 0.80 FFAR4 (0.43) P2RX7FFAR4
SCHEMBL31706028 0.80 ITGB1 (0.47) MDM2P2RX7TSHRHDAC1HDAC2

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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