SCHEMBL7698258

SCHEMBL7698258

C#CCC1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
NR1H2 P55055 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
STS P08842 1/20 0.32
KLK7 P49862 1/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 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
SCHEMBL7698260 1.00 HSD17B10 (0.33) HSD17B10TPSAB1TPSD1TPSG1NR1H2
SCHEMBL5957974 0.85 MEN1 (0.34) HSD17B10NR1H2MEN1ALDH1A1MAPT
SCHEMBL6494880 0.84 KLK7 (0.36) HSD17B10TPSAB1TPSD1TPSG1NR1H2
SCHEMBL3394051 0.82 DDB1 (0.34) HSD17B10TPSAB1TPSD1TPSG1NR1H2
SCHEMBL7703658 0.81 AGTR2 (0.38) STSKLK7KDM4E
SCHEMBL7703661 0.81 AGTR2 (0.38) STSKLK7KDM4E
SCHEMBL10435137 0.80 MME (0.37) HSD17B10TPSAB1TPSD1TPSG1NR1H2
SCHEMBL7172090 0.80 FAAH (0.35) HSD17B10TPSAB1TPSD1TPSG1NR1H2
SCHEMBL9763142 0.79 DDB1 (0.33) HSD17B10TPSAB1TPSD1TPSG1NR1H2
SCHEMBL8669568 0.78 KLK7 (0.49) NR1H2STSKLK7MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002014261-A2 4-SUBSTITUTED D-GLUTAMIC ACID DERIVATIVES FOR USE AS ANTIBIOTIC ELI LILLY AND COMPANY (US) 2002-02-21 WO disclosed