SCHEMBL8833800

SCHEMBL8833800

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.35
TBXAS1 P24557 9/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TPSAB1 Q15661 1/20 0.32
TPSD1 Q9BZJ3 1/20 0.32
TPSG1 Q9NRR2 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
SCHEMBL9215800 1.00 LMNA (0.37) LMNAEGLN3TBXAS1ALDH1A1MEN1
SCHEMBL8833195 0.94 LMNA (0.40) LMNATBXAS1ALDH1A1MEN1KMT2A
SCHEMBL8832980 0.85 LMNA (0.33) LMNAEGLN3TBXAS1ALDH1A1TPSAB1
SCHEMBL9219553 0.85 LMNA (0.33) LMNAEGLN3TBXAS1ALDH1A1TPSAB1
SCHEMBL8833217 0.83 ALDH1A1 (0.34) LMNAEGLN3TBXAS1ALDH1A1
SCHEMBL8832722 0.81 TBXAS1 (0.33) LMNAEGLN3TBXAS1ALDH1A1TPSAB1
SCHEMBL9222352 0.81 TBXAS1 (0.33) LMNAEGLN3TBXAS1ALDH1A1TPSAB1
SCHEMBL8833156 0.80 EGLN3 (0.35) EGLN3MEN1KMT2A
SCHEMBL9027146 0.79 POLB (0.34) KMT2A
SCHEMBL9027141 0.79 POLB (0.34) KMT2A

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