SCHEMBL8436639

SCHEMBL8436639

O=C(CO)Oc1ccccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
RECQL P46063 1/20 0.63
HSD17B10 Q99714 7/20 0.62
HPGD P15428 5/20 0.62
ALDH1A1 P00352 8/20 0.61
ESR1 P03372 1/20 0.61
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
HMGB1 P09429 1/20 0.61
TSHR P16473 1/20 0.61
GGT1 P19440 1/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
BLM P54132 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 2/20 0.59
LMNA P02545 1/20 0.54

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
SCHEMBL844727 0.86 KDM4E (0.70) KDM4EKMT2AMEN1RECQLHSD17B10
Diaspirin SCHEMBL30735506 0.86 KDM4E (0.75) KDM4EKMT2AMEN1RECQLHSD17B10
Diaspirin SCHEMBL40799 0.86 KDM4E (0.75) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL1358287 0.85 KDM4E (0.59) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL14494719 0.85 KDM4E (0.69) KDM4EKMT2AMEN1RECQLHSD17B10
Bromoaspirin SCHEMBL6691615 0.83 KDM4E (0.61) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL6129343 0.83 KDM4E (0.61) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL4401026 0.83 KDM4E (0.61) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL13006825 0.83 KDM4E (0.72) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL2763226 0.83 KDM4E (0.71) KDM4EKMT2AMEN1RECQLHSD17B10

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
CN-111727041-A Composition for treating non-alcoholic fatty liver disease and non-alcoholic steatohepatitis 卢莫斯制药公司 2020-09-29 CN disclosed
EP-0732322-B1 Acetylsalicylic acid derivatives having a vinyl group UBE INDUSTRIES (JP) 1999-12-22 EP disclosed
US-5693320-A ANTICOAGULANTS, BIOCOMPATIBILITY, MEDICAL EQUIPMENT UBE INDUSTRIES, LTD. (JP) 1997-12-02 US disclosed
EP-0732322-A1 Acetylsalicylic acid derivatives having a vinyl group UBE INDUSTRIES, LTD. (JP) 1996-09-18 EP disclosed