SCHEMBL9317033

SCHEMBL9317033

C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C(=O)N2C(C(=O)O)=C(CS(=O)(=O)c3ccc(C(F)(F)F)cc3)C[C@H]12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
CCR2 P41597 3/20 0.31
KCNH2 Q12809 2/20 0.31
AR P10275 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
MMP1 P03956 2/20 0.30
HSD11B1 P28845 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GAA P10253 1/20 0.30
EEF2K O00418 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
SCHEMBL9317051 0.84 KDM4E (0.43) PTGDR2ELANEKDM4ELMNACCR2
SCHEMBL9660442 0.83 PTGDR2 (0.33) PTGDR2KDM4ELMNA
SCHEMBL9082851 0.78 LMNA (0.42) ELANEKDM4ELMNAKCNH2ALDH1A1
SCHEMBL9318537 0.74 KDM4E (0.33) ELANEKDM4ELMNAKCNH2ALDH1A1
SCHEMBL9428729 0.73 KDM4E (0.42) KDM4ELMNAKCNH2
SCHEMBL9081661 0.72 KDM4E (0.44) ELANEKDM4ELMNAKCNH2ALDH1A1
SCHEMBL8835026 0.72 KDM4E (0.39) ELANEKDM4ELMNAKCNH2
SCHEMBL9343962 0.72 ELANE (0.39) ELANEALDH1A1
SCHEMBL8038866 0.72 KDM4E (0.32) ELANEKDM4ELMNAKCNH2
SCHEMBL9318527 0.72 KDM4E (0.45) ELANEKDM4ELMNACCR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0478874-A2 Novel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-04-08 EP claimed
US-5369102-A B-lactamase inhibitors AMERICAN CYANAMID COMPANY (US) 1994-11-29 US disclosed
EP-0478874-A2 Novel 2-substituted alkyl-3-carboxy carbapenems as antibiotics and a method of producing them AMERICAN CYANAMID COMPANY (US) 1992-04-08 EP disclosed
US-5068232-A Bactericides AMERICAN CYANAMID COMPANY (US) 1991-11-26 US disclosed