SCHEMBL9735822

SCHEMBL9735822

C=C[C@H](CC[C@@H]1COC(C)(C)O1)OC(=O)C(O)N1C[C@H](N2C(=O)c3ccccc3C2=O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
AVPR1A P37288 1/20 0.34
APP P05067 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 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
SCHEMBL9735557 1.00 TMEM97 (0.35) TMEM97SIGMAR1AVPR1AAPPL3MBTL1
SCHEMBL9735874 0.72 ALDH1A1 (0.40) TMEM97SIGMAR1APPALDH1A1NPSR1
SCHEMBL9736381 0.72 NPSR1 (0.35) TMEM97SIGMAR1AVPR1AAPPALDH1A1
SCHEMBL9736590 0.72 NPSR1 (0.35) TMEM97SIGMAR1AVPR1AAPPALDH1A1
SCHEMBL10378727 0.72 NPSR1 (0.35) TMEM97SIGMAR1AVPR1AAPPALDH1A1
SCHEMBL10378318 0.68 NPSR1 (0.35) TMEM97SIGMAR1AVPR1AAPPALDH1A1
SCHEMBL9736469 0.68 NPSR1 (0.35) TMEM97SIGMAR1AVPR1AAPPALDH1A1
SCHEMBL10305084 0.64 GAA (0.47) TMEM97SIGMAR1ALDH1A1NPSR1LMNA
SCHEMBL4860844 0.64 GAA (0.47) TMEM97SIGMAR1ALDH1A1NPSR1LMNA
SCHEMBL10305099 0.64 GAA (0.47) TMEM97SIGMAR1ALDH1A1NPSR1LMNA

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-5138050-A 6-amido-1-methyl carbapenems MERCK & CO., INC. (US) 1992-08-11 US disclosed
WO-1990000170-A1 NOVEL 6-AMIDO-1-METHYLCARBAPENEMS MERCK & CO., INC. (US) 1990-01-11 WO disclosed
EP-0350211-A2 Novel 6-amido-1-methyl carbapenems MERCK & CO. INC. (US) 1990-01-10 EP disclosed