SCHEMBL30158624

SCHEMBL30158624

O=C(O)CC1CCC(=O)N1Cc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 12/20 0.52
▸ HCRTR2 O43614 12/20 0.52
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ LIPE Q05469 1/20 0.38

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
SCHEMBL30158586 0.80 HCRTR2 (0.49) HCRTR1HCRTR2P2RX7KMT2A
SCHEMBL31706028 0.79 ITGB1 (0.47) HCRTR1HCRTR2HDAC1HDAC2P2RX7
SCHEMBL30158549 0.78 KMT2A (0.44) HCRTR1HCRTR2HDAC1HDAC2P2RX7
SCHEMBL30158532 0.78 KMT2A (0.56) KMT2A
SCHEMBL30158612 0.77 P2RX7 (0.44) HCRTR1HCRTR2P2RX7
SCHEMBL30158670 0.77 PTGER2 (0.49) HDAC1HDAC2HDAC6P2RX7KMT2A
SCHEMBL30158432 0.75 KMT2A (0.43) HDAC1HDAC2KMT2A
SCHEMBL30158611 0.75 ALDH1A1 (0.50) HCRTR1HCRTR2P2RX7KMT2A
SCHEMBL30158699 0.75 ALDH1A1 (0.50) HCRTR1HCRTR2P2RX7KMT2A
SCHEMBL30158747 0.74 FFAR4 (0.43) P2RX7

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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