SCHEMBL8624518

SCHEMBL8624518

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.43
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
TP53 P04637 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ELANE P08246 1/20 0.36
TSHR P16473 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ASAH1 Q13510 1/20 0.34

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
SCHEMBL8624515 0.85 CES1 (0.43) CES1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8623299 0.81 CES1 (0.38) CES1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8625977 0.81 KDM4E (0.40) CES1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7783261 0.81 CES1 (0.40) CES1HTTKDM4ESMN1; SMN2PKM
SCHEMBL8626816 0.80 ALDH1A1 (0.41) CES1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6959879 0.80 ALDH1A1 (0.41) CES1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8623432 0.80 CES1 (0.39) CES1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL14431713 0.73 CNR1 (0.48) CES1HTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8577393 0.72 NPSR1 (0.41) HTTSMN1; SMN2ALDH1A1MAPTGLA
SCHEMBL14414191 0.68 KMT2A (0.35) CES1HTTKDM4EALDH1A1MAPT

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