SCHEMBL14640249

SCHEMBL14640249

O=C(O)C[C@H](O)c1ccc(O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 11/20 0.60
KDM4E B2RXH2 10/20 0.60
MAPT P10636 10/20 0.60
BLM P54132 9/20 0.60
HSD17B10 Q99714 6/20 0.60
MAPK1 P28482 5/20 0.60
LMNA P02545 5/20 0.60
TSHR P16473 5/20 0.60
HIF1A Q16665 5/20 0.60
RECQL P46063 4/20 0.60
PMP22 Q01453 4/20 0.60
NFKB1 P19838 4/20 0.60
POLB P06746 3/20 0.60
THPO P40225 2/20 0.60
ADRB2 P07550 8/20 0.58
ADRB1 P08588 5/20 0.58
ADRA1D P25100 4/20 0.58
ADRA2A P08913 3/20 0.58
ADRA2B P18089 3/20 0.58
ADRA2C P18825 3/20 0.58

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
SCHEMBL30420447 1.00 TDP1 (0.60) TDP1KDM4EMAPTBLMHSD17B10
SCHEMBL11141488 1.00 TDP1 (0.60) TDP1KDM4EMAPTBLMHSD17B10
SCHEMBL3442523 0.83 TDP1 (0.61) TDP1KDM4EMAPTBLMHSD17B10
Norepinephrine SCHEMBL14940777 0.80 BLM (0.79) TDP1KDM4EMAPTBLMHSD17B10
SCHEMBL29216358 0.80 KDM4E (0.41) TDP1KDM4EMAPTBLMHSD17B10
SCHEMBL3182357 0.80 TSHR (0.67) TDP1BLMTSHRPMP22NFKB1
SCHEMBL7245882 0.80 GAA (0.54) BLMTSHRPMP22NFKB1CYP3A4
SCHEMBL8289998 0.79 TDP1 (0.54) TDP1KDM4EMAPTBLMHSD17B10
SCHEMBL18735793 0.79 BLM (0.46) TDP1KDM4EMAPTBLMHSD17B10
SCHEMBL21348210 0.79 FFAR1 (0.51) TDP1KDM4EMAPTBLMHSD17B10

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-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed