SCHEMBL9368594

SCHEMBL9368594

CC(C)C(=O)CC(=O)C(C)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ PGR P06401 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ ADRA2B P18089 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HRH1 P35367 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ATM Q13315 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HPGD P15428 3/20 0.42
▸ CES1 P23141 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL9367250 0.85 KMT2A (0.57) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL9372943 0.84 KMT2A (0.50) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL10887382 0.82 KMT2A (0.54) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL28940553 0.81 PGR (0.55) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL1397470 0.80 KMT2A (0.58) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL1699093 0.79 KMT2A (0.64) KMT2AMAPTSMN1; SMN2LMNATDP1
SCHEMBL29588190 0.78 KMT2A (0.58) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL16160090 0.76 KMT2A (0.51) KMT2APGRADRA2AADRA2BHTR2A
SCHEMBL9370272 0.76 ERCC5 (0.54) KMT2AMAPTSMN1; SMN2LMNACES1
SCHEMBL11087955 0.76 ALDH1A1 (0.48) KMT2APGRADRA2AADRA2BHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304057-B1 Pyridinone derivatives, and agricultural and horticultural fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-04-20 — — EP disclosed
EP-0304057-A2 Pyridinone derivatives, and agricultural and horticultural fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-02-22 — — EP disclosed
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