SCHEMBL8668465

SCHEMBL8668465

O=C(O)CCC(C(=O)O)N(C(=O)c1ccccc1)N(CCCl)CCCl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
POLB P06746 2/20 0.37
CPA3 P15088 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NR4A2 P43354 1/20 0.36
KMT2A Q03164 1/20 0.36
EPOR P19235 1/20 0.35
ALDH1A1 P00352 6/20 0.34
CYP2D6 P10635 3/20 0.34
TSHR P16473 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
NFKB1 P19838 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7511627 1.00 EGFR (0.37) EGFRERBB2POLBCPA3HSD17B10
SCHEMBL9210808 0.83 ALDH1A1 (0.42) POLBCPA3HSD17B10LMNATDP1
SCHEMBL28797503 0.77 CPA3 (0.42) POLBCPA3HSD17B10LMNATDP1
SCHEMBL31266570 0.77 CPA3 (0.42) POLBCPA3HSD17B10LMNATDP1
SCHEMBL7211709 0.75 FOLH1 (0.37) POLBCPA3HSD17B10LMNATDP1
SCHEMBL1083608 0.74 CPA3 (0.42) POLBCPA3HSD17B10LMNATDP1
SCHEMBL4775104 0.74 CPA3 (0.42) POLBCPA3HSD17B10LMNATDP1
SCHEMBL28129661 0.74 FOLH1 (0.47) POLBCPA3HSD17B10LMNATDP1
SCHEMBL28129663 0.74 FOLH1 (0.47) POLBCPA3HSD17B10LMNATDP1
SCHEMBL1083606 0.74 CPA3 (0.42) POLBCPA3HSD17B10LMNATDP1

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-5807688-A ANTIBODY DIRECTED ANZYME PRODRUG THERAPY ZENECA LIMITED (GB) 1998-09-15 US disclosed