SCHEMBL11140197

SCHEMBL11140197

[CH2]C(=O)c1ccc(C(=O)O)c(OC)c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.38
CDC25B P30305 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PKM P14618 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
HAAO P46952 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL1505827 0.89 TDP1 (0.61) TDP1MAPTALDH1A1HSD17B10POLB
Hydrochloric Acid SCHEMBL2202243 0.87 TDP1 (0.59) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL4638173 0.82 MAPT (0.55) TDP1MAPTALDH1A1CYP1A2MAPK1
SCHEMBL6646160 0.79 TDP1 (0.52) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL419245 0.79 TDP1 (0.56) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL102827 0.79 MAPT (0.72) TDP1MAPTALDH1A1KDM4EHPGD
SCHEMBL6852883 0.79 MAPT (0.52) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL9679999 0.78 TDP1 (0.55) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL14699894 0.78 ALDH1A1 (0.63) TDP1MAPTALDH1A1HSD17B10POLB
SCHEMBL11046315 0.78 MAPT (0.50) TDP1MAPTALDH1A1HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4376825-A ENZYME-BOUND LIGANDS WITH FREE REACTIVE SITES WHICH CAN BIND RECEPTORS SYVA COMPANY (US) 1983-03-15 US disclosed
US-4282325-A FOR AMPLIFICATION IN ASSAYS SYVA COMPANY (US) 1981-08-04 US disclosed
US-4203802-A ENZYME BOUND TO AN ESTROGEN LIGAND SYVA COMPANY (US) 1980-05-20 US disclosed
US-4190496-A RECEPTOR, LIGAND, AND ENZYME-BOUND SYVA COMPANY (US) 1980-02-26 US disclosed
US-4067774-A Compounds for enzyme amplification assay SYVA COMPANY (US) 1978-01-10 US disclosed
US-3975237-A LIGANDS SYVA COMPANY (US) 1976-08-17 US disclosed
US-3966764-A ELECTRON SPIN RESONANCE SYVA COMPANY (US) 1976-06-29 US disclosed
US-3966556-A Compounds for enzyme amplification assay methadone analogs SYVA COMPANY (US) 1976-06-29 US disclosed
US-3966744-A Spin labeled compounds SYVA COMPANY (US) 1976-06-29 US disclosed