SCHEMBL10802005

SCHEMBL10802005

NC(CO)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 10/20 0.69
KDM4E B2RXH2 7/20 0.69
MAPK1 P28482 3/20 0.69
RECQL P46063 7/20 0.61
MAPT P10636 7/20 0.61
LMNA P02545 4/20 0.61
BLM P54132 4/20 0.61
APEX1 P27695 4/20 0.61
KMT2A Q03164 4/20 0.61
TSHR P16473 2/20 0.61
HIF1A Q16665 2/20 0.61
HSD17B10 Q99714 2/20 0.61
MTOR P42345 2/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
THPO P40225 1/20 0.61
POLB P06746 1/20 0.61
ADRA1A P35348 3/20 0.56
NR1I2 O75469 1/20 0.56
PTGS1 P23219 1/20 0.56

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
Hydrochloric Acid SCHEMBL10924534 0.98 TDP1 (0.72) TDP1KDM4EMAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL249736 0.83 TDP1 (0.96) TDP1KDM4EMAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL29711047 0.83 TDP1 (0.96) TDP1KDM4EMAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL521301 0.81 KDM4E (1.00) TDP1KDM4EMAPK1RECQLMAPT
Ethylnorepinephrine SCHEMBL75742 0.81 KDM4E (1.00) TDP1KDM4EMAPK1RECQLMAPT
SCHEMBL26638224 0.80 TDP1 (0.55) TDP1KDM4EMAPK1RECQLMAPT
SCHEMBL19771234 0.79 TDP1 (0.70) TDP1KDM4EMAPK1RECQLMAPT
SCHEMBL19771233 0.79 TDP1 (0.70) TDP1KDM4EMAPK1RECQLMAPT
SCHEMBL29102057 0.79 TDP1 (0.68) TDP1KDM4EMAPK1RECQLMAPT
SCHEMBL7845490 0.78 TDP1 (0.53) TDP1KDM4EMAPK1RECQLMAPT

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-4695580-A Phenylserine derivatives and processes for preparing the same SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1987-09-22 US disclosed