SCHEMBL1434844

SCHEMBL1434844

COc1ccc(C(=O)O)c(OCC(=O)O)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.60
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 1/20 0.56
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MIF P14174 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CTSD P07339 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL29184862 0.89 PDE4D (0.58) PDE4DMAPTTDP1KDM4EPOLB
SCHEMBL885177 0.88 PDE4D (0.57) PDE4DMAPTTDP1KDM4EPOLB
SCHEMBL6129096 0.84 POLB (0.65) PDE4DMAPTTDP1KDM4EPOLB
SCHEMBL102827 0.84 MAPT (0.72) PDE4DMAPTTDP1KDM4EMEN1
SCHEMBL7824239 0.84 KDM4E (0.60) MAPTTDP1KDM4EPOLBSMN1; SMN2
SCHEMBL1434488 0.83 MAPT (0.50) PDE4DMAPTTDP1KDM4EALDH1A1
Water SCHEMBL9749470 0.83 MAPT (0.70) PDE4DMAPTTDP1KDM4EMEN1
SCHEMBL27341170 0.83 MAPT (0.70) PDE4DMAPTTDP1KDM4EMEN1
Hydrochloric Acid SCHEMBL5061862 0.83 MAPT (0.70) PDE4DMAPTTDP1KDM4EMEN1
Benzene SCHEMBL27688092 0.83 MAPT (0.70) PDE4DMAPTTDP1KDM4EMEN1

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
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed