SCHEMBL8530735

SCHEMBL8530735

CC(O)C1C(=O)N2C(C(=O)O)=C(Sc3ccccc3)C(C)C12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.50
ESR1 P03372 2/20 0.50
PDE4A P27815 1/20 0.50
CACNA1C Q13936 1/20 0.46
ABCC2 Q92887 1/20 0.43
ELANE P08246 3/20 0.36
FAP Q12884 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC29A1 Q99808 1/20 0.33
LIPE Q05469 1/20 0.31

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
SCHEMBL10614146 1.00 PTGS1 (0.50) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL9220178 1.00 PTGS1 (0.50) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL9836121 1.00 PTGS1 (0.50) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL9220172 1.00 PTGS1 (0.50) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL10863222 0.87 ESR1 (0.40) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL10863599 0.87 ESR1 (0.40) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL10863213 0.87 ESR1 (0.40) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL10863602 0.87 ESR1 (0.40) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL9696350 0.86 ESR1 (0.47) PTGS1ESR1PDE4ACACNA1CABCC2
SCHEMBL22166268 0.84 ESR1 (0.46) PTGS1ESR1PDE4ACACNA1CABCC2

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
EP-0504612-B1 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID CO (US) 1998-01-21 EP disclosed
US-5656753-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1997-08-12 US disclosed
US-5371215-A 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1994-12-06 US disclosed
US-5189158-A 4-SUBSTITUTED AZETIDINONES AS PRECURSORS TO 2-SUBSTITUTED-3-CARBOXY CARBAPENEM ANTIBIOTICS AND A METHOD OF PRODUCING THEM AMERICAN CYANAMID COMPANY (US) 1993-02-23 US disclosed
EP-0504612-A2 Novel 4-substituted azetidinones as precursors to 2-substituted-3-carboxy carbapenem antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-09-23 EP disclosed