SCHEMBL1668337

SCHEMBL1668337

CC(=O)Nc1ccccc1O.CNc1ccccc1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.56
MAPT P10636 4/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
APOBEC3A P31941 1/20 0.53
GFER P55789 1/20 0.53
HDAC1 Q13547 1/20 0.53
APOBEC3G Q9HC16 1/20 0.53
NPC1 O15118 4/20 0.52
HTT P42858 3/20 0.52
RAB9A P51151 3/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.52
TP53 P04637 2/20 0.52
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL29375572 0.92 GAA (0.63) GAAMAPTKMT2AKDM4ETDP1
SCHEMBL19181071 0.92 GAA (0.63) GAAMAPTKMT2AKDM4ETDP1
SCHEMBL79487 0.92 GAA (0.63) GAAMAPTKMT2AKDM4ETDP1
SCHEMBL27511386 0.90 GAA (0.61) GAAMAPTKMT2AKDM4ETDP1
SCHEMBL27511387 0.90 GAA (0.61) GAAMAPTKMT2AKDM4ETDP1
SCHEMBL27509577 0.90 GAA (0.61) GAAMAPTKMT2AKDM4ETDP1
Acetic Acid SCHEMBL28158813 0.88 KDM4E (0.61) GAAMAPTKMT2AKDM4ETDP1
Water SCHEMBL28741391 0.88 GAA (0.59) GAAMAPTKMT2AKDM4ETDP1
Hydrochloric Acid SCHEMBL11777356 0.88 GAA (0.59) GAAMAPTKMT2AKDM4ETDP1
Sulfuric Acid SCHEMBL9615897 0.85 GAA (0.56) GAAMAPTKMT2AKDM4ETDP1

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
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed