SCHEMBL7947240

SCHEMBL7947240

COc1cc(C(O)C(=O)NCCc2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.57
ACHE P22303 1/20 0.57
BLM P54132 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 1/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
PTGS1 P23219 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ADRB2 P07550 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
GLS O94925 1/20 0.51
GLI1 P08151 1/20 0.50
GLI2 P10070 1/20 0.50
ALOX5 P09917 1/20 0.49

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
SCHEMBL7939608 0.88 ERCC1 (0.57) BLMNPSR1TSHRKDM4EALDH1A1
SCHEMBL7939648 0.87 MAPT (0.59) ACHEBLMNPSR1TSHRKDM4E
SCHEMBL4368024 0.87 MTNR1A (0.53) TYRACHEALDH1A1MTNR1AMTNR1B
SCHEMBL4368020 0.87 MTNR1A (0.53) TYRACHEALDH1A1MTNR1AMTNR1B
SCHEMBL4367213 0.87 LMNA (0.56) TYRACHEALDH1A1LMNAMAPT
SCHEMBL4363833 0.87 MTNR1A (0.53) TYRACHEALDH1A1MAPTMTNR1A
SCHEMBL4372465 0.87 LMNA (0.56) TYRACHEALDH1A1LMNAMAPT
SCHEMBL4367219 0.87 LMNA (0.56) TYRACHEALDH1A1LMNAMAPT
SCHEMBL4360325 0.87 MTNR1A (0.53) TYRACHEALDH1A1MAPTMTNR1A
SCHEMBL4373390 0.87 MTNR1A (0.53) TYRACHEALDH1A1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265611-B1 USE AS ANTIOXIDANTS OR FREE-RADICAL SCAVENGERS IN COSMETICS AND PHARMACEUTICALS AND FOODS HAARMANN & REIMER GMBH (DE) 2001-07-24 US claimed
EP-1029849-A1 Hydroxymandelamides of phenolic amines HAARMANN & REIMER GMBH (DE) 2000-08-23 EP claimed
US-6265611-B1 USE AS ANTIOXIDANTS OR FREE-RADICAL SCAVENGERS IN COSMETICS AND PHARMACEUTICALS AND FOODS HAARMANN & REIMER GMBH (DE) 2001-07-24 US disclosed
EP-1029849-A1 Hydroxymandelamides of phenolic amines HAARMANN & REIMER GMBH (DE) 2000-08-23 EP disclosed