SCHEMBL7211709

SCHEMBL7211709

O=C(O)CC[C@@H](C(=O)O)N(NCCCl)C(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.37
CPA3 P15088 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
MAPK1 P28482 1/20 0.36
GSK3B P49841 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR4A2 P43354 1/20 0.35
NAALAD2 Q9Y3Q0 2/20 0.35
GGH Q92820 1/20 0.35
EPOR P19235 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
ADAMTS4 O75173 1/20 0.33

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
SCHEMBL11185212 0.81 LMNA (0.41) FOLH1CPA3ALDH1A1LMNATDP1
SCHEMBL6065012 0.81 LMNA (0.41) FOLH1CPA3ALDH1A1LMNATDP1
SCHEMBL28286136 0.80 NR4A2 (0.41) FOLH1CPA3ALDH1A1LMNAMAPK1
SCHEMBL28287517 0.80 LMNA (0.40) FOLH1CPA3ALDH1A1LMNATDP1
SCHEMBL28286182 0.80 LMNA (0.40) FOLH1CPA3ALDH1A1LMNATDP1
SCHEMBL31266570 0.76 CPA3 (0.42) FOLH1CPA3ALDH1A1LMNAMAPK1
SCHEMBL28797503 0.76 CPA3 (0.42) FOLH1CPA3ALDH1A1LMNAMAPK1
SCHEMBL8668465 0.75 EGFR (0.37) FOLH1CPA3ALDH1A1LMNATRPA1
SCHEMBL7511627 0.75 EGFR (0.37) FOLH1CPA3ALDH1A1LMNATRPA1
SCHEMBL4775104 0.73 CPA3 (0.42) FOLH1CPA3ALDH1A1LMNAMAPK1

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
US-6613563-B1 Comprising antibody that binds an adenoviral capsid protein, ligand that binds the preselected receptor and adenovirus containing a nucleic acid molecule that encodes a gene product under the control of a promoter; use in gene therapy SELECTIVE GENTICS, INC. 2003-09-02 US disclosed