SCHEMBL8623299

SCHEMBL8623299

CCC(=O)N1C(=O)c2ccccc2OC1(C)CC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 4/20 0.34
GLA P06280 1/20 0.34
TP53 P04637 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL8624518 0.81 CES1 (0.43) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL8623432 0.81 CES1 (0.39) CES1KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL8624515 0.79 CES1 (0.43) CES1KDM4EHTTSMN1; SMN2KMT2A
SCHEMBL7783261 0.74 CES1 (0.40) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL8625977 0.74 KDM4E (0.40) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL6959879 0.73 ALDH1A1 (0.41) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL8626816 0.73 ALDH1A1 (0.41) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL14414191 0.68 KMT2A (0.35) CES1KDM4EHTTKMT2AMEN1
SCHEMBL28129243 0.62 ALDH1A1 (0.39) KDM4EHTTKMT2AALDH1A1MAPT
SCHEMBL7504135 0.62 ALDH1A1 (0.39) KDM4EHTTKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5792861-A Process for the production of 4-substituted azetidinone derivative TANABE SEIYAKU CO., LTD. (JP) 1998-08-11 US disclosed
EP-0632037-B1 Process for the production of 4-substituted azetidinone derivatives TANABE SEIYAKU CO (JP) 1997-10-01 EP disclosed
EP-0632037-A1 Process for the production of 4-substituted azetidinone derivative TANABE SEIYAKU CO., LTD. (JP) 1995-01-04 EP disclosed