SCHEMBL8437875

SCHEMBL8437875

C=C(C)C(=O)Nc1ccc(OC(C)=O)c(C(=O)OCc2ccccc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NOX4 Q9NPH5 1/20 0.40
NPC1 O15118 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL11320627 0.81 MEN1 (0.46) KMT2AMEN1NPC1TDP1POLB
SCHEMBL8440505 0.79 TDP1 (0.47) KMT2AMEN1NPC1TDP1POLB
SCHEMBL8438097 0.79 MAPT (0.45) NPC1TDP1POLBL3MBTL1ALDH1A1
SCHEMBL11329853 0.78 PTGS2 (0.54) KMT2AMEN1TDP1L3MBTL1ALDH1A1
SCHEMBL8436420 0.76 CFD (0.56) TDP1POLBL3MBTL1ALDH1A1KDM4E
SCHEMBL8437783 0.75 TDP1 (0.47) KMT2AMEN1NPC1TDP1POLB
SCHEMBL8437822 0.75 TDP1 (0.47) EGFRNPC1TDP1POLBL3MBTL1
SCHEMBL11322935 0.70 KDM4E (0.55) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL6759808 0.70 TDP1 (0.49) KMT2AMEN1TDP1POLBL3MBTL1
SCHEMBL2350885 0.70 MAPT (0.48) KMT2AMEN1NPC1TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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