SCHEMBL8833217

SCHEMBL8833217

C=CCOC(=O)N1C[C@@H](SC(C)=O)C[C@H]1CCn1ccnc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
EGLN3 Q9H6Z9 1/20 0.32
TBXAS1 P24557 6/20 0.31
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ECE1 P42892 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
SCHEMBL9466475 0.91 LMNA (0.31) ALDH1A1LMNAECE1
SCHEMBL9215800 0.83 LMNA (0.37) ALDH1A1LMNAEGLN3TBXAS1
SCHEMBL8833800 0.83 LMNA (0.37) ALDH1A1LMNAEGLN3TBXAS1
SCHEMBL8833409 0.82 ECE1 (0.32) SIGMAR1ECE1
SCHEMBL9543531 0.82 SIGMAR1 (0.31) SIGMAR1ECE1
SCHEMBL8833119 0.81 SIGMAR1 (0.31) SIGMAR1ECE1
SCHEMBL9213848 0.80 TBXAS1 (0.40) ALDH1A1LMNATBXAS1ECE1
SCHEMBL8833657 0.80 TBXAS1 (0.40) ALDH1A1LMNATBXAS1ECE1
SCHEMBL8832537 0.80 ECE1 (0.31) SIGMAR1ECE1
SCHEMBL8832980 0.80 LMNA (0.33) ALDH1A1LMNAEGLN3TBXAS1SIGMAR1

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-5608056-A Substituted 3-pyrrolidinylthio-carbapenems as antimicrobial agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-04 US disclosed
EP-0636133-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-01 EP disclosed
WO-1993021186-A1 SUBSTITUTED 3-PYRROLIDINYLTHIO-CARBAPENEMS AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-28 WO disclosed