SCHEMBL8833657

SCHEMBL8833657

C=CCOC(=O)N1C[C@@H](SC(=O)c2ccccc2)C[C@H]1CCCn1ccnc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.40
LMNA P02545 1/20 0.37
TP53 P04637 2/20 0.35
MDM2 Q00987 2/20 0.35
ECE1 P42892 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MDM4 O15151 1/20 0.35
CYP19A1 P11511 1/20 0.35

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
SCHEMBL9213848 1.00 TBXAS1 (0.40) TBXAS1LMNATP53MDM2ECE1
SCHEMBL9220923 0.81 ECE1 (0.36) LMNATP53ECE1MEN1KMT2A
SCHEMBL8833239 0.81 ECE1 (0.36) LMNATP53ECE1MEN1KMT2A
SCHEMBL8833609 0.81 ECE1 (0.38) ECE1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL8833217 0.80 ALDH1A1 (0.34) TBXAS1LMNAECE1ALDH1A1
SCHEMBL8833195 0.80 LMNA (0.40) TBXAS1LMNAMEN1KMT2AALDH1A1
SCHEMBL8832597 0.79 ECE1 (0.36) ECE1MEN1KMT2ACYP19A1
SCHEMBL8833096 0.79 ECE1 (0.36) ECE1MEN1KMT2ACYP19A1
SCHEMBL9213699 0.79 ECE1 (0.36) ECE1MEN1KMT2ACYP19A1
SCHEMBL8833793 0.78 ECE1 (0.34) ECE1MEN1KMT2A

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