SCHEMBL8833005

SCHEMBL8833005

C=CCOC(=O)N1C[C@H](O)C[C@H]1Cc1cnn(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CETP P11597 5/20 0.33
POLB P06746 2/20 0.32
CYP19A1 P11511 1/20 0.32
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
FLT3 P36888 1/20 0.31
AURKB Q96GD4 1/20 0.31
FAAH O00519 3/20 0.31
MGLL Q99685 1/20 0.31
JAK3 P52333 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9027011 0.86 SIGMAR1 (0.30) SIGMAR1JAK3
SCHEMBL8833390 0.83 SIGMAR1 (0.34) SIGMAR1POLBCYP19A1FAAHMGLL
SCHEMBL8833108 0.82 CETP (0.33) SIGMAR1ALDH1A1CETPCYP19A1
SCHEMBL9026719 0.81
SCHEMBL9221010 0.81 SNCA (0.38) SIGMAR1ALDH1A1POLBCYP19A1FAAH
SCHEMBL8832922 0.81 SNCA (0.38) SIGMAR1ALDH1A1POLBCYP19A1FAAH
SCHEMBL9026729 0.81
SCHEMBL8832778 0.80 ECE1 (0.36) SIGMAR1ALDH1A1CYP19A1FAAHMGLL
SCHEMBL8834015 0.80 CHRM5 (0.35) SIGMAR1
SCHEMBL9034423 0.80 CYP19A1 (0.35) SIGMAR1POLBCYP19A1

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