SCHEMBL30158532

SCHEMBL30158532

Cc1ccc(CN2C(=O)CCC2CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.56
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ S1PR5 Q9H228 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30158549 0.89 KMT2A (0.44) KMT2AGAAALDH1A1KDM4ECYP2C9
SCHEMBL30157940 0.88 KMT2A (0.55) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL31706028 0.87 ITGB1 (0.47) CYP3A4CYP2C19
SCHEMBL30158586 0.86 HCRTR2 (0.49) KMT2AGAAALDH1A1MAPTCYP2C9
SCHEMBL30158662 0.85 KMT2A (0.59) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30158670 0.85 PTGER2 (0.49) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL30158626 0.84 ALDH1A1 (0.49) KMT2AALDH1A1KDM4ECYP3A4MEN1
SCHEMBL30157678 0.83 KMT2A (0.60) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157712 0.83 KMT2A (0.57) KMT2AGAAALDH1A1KDM4EMAPT
SCHEMBL30157518 0.83 KMT2A (0.51) KMT2AGAAALDH1A1KDM4EMAPT

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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