SCHEMBL14290757

SCHEMBL14290757

CC(O)C(O)c1ccc(O)c(O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.70
▸ KDM4E B2RXH2 8/20 0.70
▸ MAPT P10636 7/20 0.70
▸ LMNA P02545 6/20 0.70
▸ RECQL P46063 5/20 0.70
▸ HIF1A Q16665 4/20 0.70
▸ BLM P54132 4/20 0.70
▸ TSHR P16473 3/20 0.70
▸ NFKB1 P19838 3/20 0.70
▸ HSD17B10 Q99714 3/20 0.70
▸ MTOR P42345 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ THPO P40225 2/20 0.70
▸ APEX1 P27695 2/20 0.70
▸ ALOX15 P16050 1/20 0.70
▸ POLB P06746 1/20 0.70
▸ MAPK1 P28482 3/20 0.56
▸ ADRB2 P07550 5/20 0.56
▸ PTGS2 P35354 2/20 0.56
▸ OPRK1 P41145 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
SCHEMBL29102057 0.85 TDP1 (0.68) TDP1KDM4EMAPTLMNARECQL
SCHEMBL29525823 0.83 TDP1 (0.65) TDP1KDM4EMAPTLMNARECQL
SCHEMBL241136 0.83 TDP1 (0.65) TDP1KDM4EMAPTLMNARECQL
Levonordefrin SCHEMBL119171 0.83 TDP1 (1.00) TDP1KDM4EMAPTLMNARECQL
Levonordefrin SCHEMBL14478222 0.83 TDP1 (1.00) TDP1KDM4EMAPTLMNARECQL
Levonordefrin SCHEMBL6295856 0.83 TDP1 (1.00) TDP1KDM4EMAPTLMNARECQL
Nordefrin SCHEMBL249722 0.83 TDP1 (1.00) TDP1KDM4EMAPTLMNARECQL
Nordefrin SCHEMBL29693041 0.83 TDP1 (1.00) TDP1KDM4EMAPTLMNARECQL
Levonordefrin SCHEMBL29410156 0.83 TDP1 (1.00) TDP1KDM4EMAPTLMNARECQL
Levonordefrin SCHEMBL1780761 0.83 TDP1 (1.00) TDP1KDM4EMAPTLMNARECQL

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-2008016677-A2 PREPARATION AND UTILITY OF DEUTERATED AMPHETAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-07 — — WO disclosed
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