SCHEMBL8726797

SCHEMBL8726797

C=CCNC(CCC(=O)O)C(=O)N=C=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
BLM P54132 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
GGH Q92820 2/20 0.31

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
SCHEMBL8726793 1.00 FOLH1 (0.35) FOLH1RIMKLANAALAD2SLC6A2SLC6A4
SCHEMBL8726801 0.88
SCHEMBL910826 0.79 FOLH1 (0.52) FOLH1RIMKLANAALAD2SLC6A2SLC6A4
SCHEMBL910825 0.79 FOLH1 (0.52) FOLH1RIMKLANAALAD2SLC6A2SLC6A4
SCHEMBL910807 0.79 FOLH1 (0.52) FOLH1RIMKLANAALAD2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8726781 0.77 FOLH1 (0.50) FOLH1RIMKLANAALAD2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8726784 0.77 FOLH1 (0.50) FOLH1RIMKLANAALAD2SLC6A2SLC6A4
SCHEMBL27683390 0.77 FOLH1 (0.50) FOLH1RIMKLANAALAD2SLC6A2SLC6A4
SCHEMBL5141196 0.76 TSHR (0.44) FOLH1RIMKLANAALAD2SLC6A2SLC6A4
SCHEMBL27942121 0.76 TSHR (0.44) FOLH1RIMKLANAALAD2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5770731-A PROTECTING GROUPS, ANTIBODY DIRECTED ENZYME/PRODRUG THERAPY, ANTICARCINOGENIC AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-06-23 US disclosed
US-5728868-A Prodrugs of protein tyrosine kinase inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-17 US disclosed