SCHEMBL8945803

SCHEMBL8945803

C=CCC1(CC=C)CC(=O)N1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
MMP9 P14780 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CTSK P43235 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C19 P33261 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
SCHEMBL24535919 0.76 IRAK4 (0.31)
SCHEMBL24535771 0.76 KDM4E (0.34) MMP9KDM4ELMNACYP2C19
SCHEMBL24535772 0.76 KDM4E (0.34) MMP9KDM4ELMNACYP2C19
SCHEMBL24535776 0.76 KDM4E (0.34) MMP9KDM4ELMNACYP2C19
SCHEMBL6130820 0.73 MMP9 (0.31) MMP9ALDH1A1
SCHEMBL19814031 0.72
SCHEMBL4909784 0.72 ITGB3 (0.32)
Hydrochloric Acid SCHEMBL11365594 0.71 MMP9 (0.30) MMP9
SCHEMBL10676973 0.70 KDM4E (0.39) MMP9ALDH1A1KDM4ELMNACYP2C19
SCHEMBL7408970 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8053404-A None JP disclosed
JP-H0853404-A NEW INTERMEDIATE FOR 4,4-DIALKYL-2-AZETIDINONES E R SQUIBB & SONS INC 1996-02-27 JP disclosed
CN-1018824-B Process for preparing 4, 4-dialkyl-2-azetidinones SQUIBB & SONS INC (US) 1992-10-28 CN disclosed
CN-1014894-B Process for preparing 4, 4-dialkyl-2-azetidinones SQUIBB & SONS INC (US) 1991-11-27 CN disclosed
US-4812564-A Process for preparing 4,4-dialkyl-2-azetidinones utilizing a pyridine (or substituted pyridine) sulfur trioxide complex E. R. SQUIBB & SONS, INC. (US) 1989-03-14 US disclosed