SCHEMBL30158819

SCHEMBL30158819

CC(C)c1ccc(CN2C(=O)CCC2CC(=O)NC2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.43
▸ LMNA P02545 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL30157712 0.87 KMT2A (0.57) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157807 0.87 TSHR (0.47) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL30157731 0.84 KMT2A (0.42) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157641 0.83 SLC6A4 (0.48) KMT2AALDH1A1KDM4EGAAPKM
SCHEMBL30157508 0.82 LMNA (0.40) KMT2ALMNAMEN1ALDH1A1GAA
SCHEMBL30157628 0.80 EPHX2 (0.44) KMT2AMEN1HDAC1HDAC2P2RX7
SCHEMBL30157408 0.80 SIGMAR1 (0.51) KMT2ALMNAALDH1A1GAAHDAC1
SCHEMBL30157904 0.79 P2RX7 (0.44) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL30157737 0.79 EPHX2 (0.56) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL30157493 0.78 P2RX7 (0.54) KMT2ALMNAMEN1ALDH1A1MAPT

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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