SCHEMBL9404385

SCHEMBL9404385

CC(=O)C1=C(O)C(C)OC1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
PTPN1 P18031 4/20 0.36
ACP1 P24666 3/20 0.36
CDC25B P30305 3/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN2 P17706 1/20 0.36
DUSP3 P51452 1/20 0.36
HPSE Q9Y251 1/20 0.36
AKT1 P31749 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
FASN P49327 1/20 0.30

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
SCHEMBL8693083 1.00 KDM4E (0.36) KDM4EPTPN1ACP1CDC25BMAPT
SCHEMBL382020 0.83 PTPN1 (0.36) PTPN1ACP1CDC25BMAPTRECQL
SCHEMBL13092141 0.72
SCHEMBL9423146 0.72
SCHEMBL257301 0.72
SCHEMBL4663227 0.70 CDC25B (0.43) KDM4EPTPN1ACP1CDC25BMAPT
SCHEMBL29581947 0.70 MAPT (0.41) KDM4EMAPTRECQLTDP1AKT1
SCHEMBL6414798 0.69 MAOA (0.42) KDM4EMAPT
SCHEMBL29281154 0.68
SCHEMBL29281155 0.68

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
JP-6279426-A None JP disclosed
JP-H06279426-A PRODUCTION OF 3-ACETYL-5-METHYL-TETRONIC ACID TORAY IND INC 1994-10-04 JP disclosed