SCHEMBL30157492

SCHEMBL30157492

CCc1ccc(CN2C(=O)CCC2CC(=O)NS(C)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ PTGER4 P35408 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ P2RX7 Q99572 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MTNR1A P48039 1/20 0.36

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
SCHEMBL30157832 0.91 KMT2A (0.44) KMT2APTGER4ALDH1A1HDAC1HDAC2
SCHEMBL30157399 0.91 KMT2A (0.55) KMT2APTGER4ALDH1A1HDAC1HDAC2
SCHEMBL30157731 0.88 KMT2A (0.42) KMT2APTGER4ALDH1A1HDAC1HDAC2
SCHEMBL30157811 0.85 P2RX7 (0.42) KMT2APTGER4ALDH1A1P2RX7GAA
SCHEMBL30158019 0.85 KMT2A (0.40) KMT2APTGER4ALDH1A1HDAC1HDAC2
SCHEMBL30157646 0.84 PTGER3 (0.43) KMT2APTGER4ALDH1A1TSHRP2RX7
SCHEMBL30158644 0.84 P2RX7 (0.51) PTGER4P2RX7
SCHEMBL30157807 0.83 TSHR (0.47) KMT2AALDH1A1HDAC1HDAC2TSHR
SCHEMBL30157505 0.81 KMT2A (0.45) KMT2APTGER4ALDH1A1TSHRP2RX7
SCHEMBL30158549 0.81 KMT2A (0.44) KMT2APTGER4ALDH1A1HDAC1HDAC2

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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