SCHEMBL11040697

SCHEMBL11040697

CC(COCC(C)c1ccoc1C(=O)O)c1ccoc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TP53 P04637 2/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
MAPK1 P28482 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ACLY P53396 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL11041077 0.78 KMT2A (0.50) TDP1L3MBTL1TP53ESR1POLB
SCHEMBL11253382 0.77 KMT2A (0.43) TDP1L3MBTL1TP53ESR1POLB
SCHEMBL31619090 0.74 KMT2A (0.41) TDP1L3MBTL1TP53ESR1POLB
SCHEMBL28211469 0.74 KMT2A (0.41) TDP1L3MBTL1TP53ESR1POLB
SCHEMBL504737 0.73 KMT2A (0.40) TDP1L3MBTL1TP53ESR1POLB
SCHEMBL12611006 0.71 KMT2A (0.44) TDP1L3MBTL1TP53ESR1POLB
SCHEMBL30117303 0.71 TDP1 (0.56) TDP1L3MBTL1TP53ESR1POLB
Acrylic Acid SCHEMBL10706068 0.70 KMT2A (0.38) TDP1L3MBTL1TP53ESR1POLB
SCHEMBL28971471 0.70 KMT2A (0.38) TDP1L3MBTL1TP53ESR1POLB
SCHEMBL8144185 0.70 ALDH1A1 (0.35) TP53POLBMAPK1ALDH1A1MAPT

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
EP-0040889-B1 ACTIVATORS FOR ZIEGLER TYPE POLYMERIZATION CATALYSTS UNIROYAL, INC. (US) 1984-05-30 EP claimed
US-4347159-A CHLORINATED ESTER OF (TETRAHYDRO)FUROIC ACID UNIROYAL, INC. (US) 1982-08-31 US claimed
EP-0040889-B1 ACTIVATORS FOR ZIEGLER TYPE POLYMERIZATION CATALYSTS UNIROYAL, INC. (US) 1984-05-30 EP disclosed
US-4451575-A Activators for Ziegler type polymerization catalysts using bis(trichloromethyl) sulfone UNIROYAL, INC. (US) 1984-05-29 US disclosed