SCHEMBL13299580

SCHEMBL13299580

CC[C@@H](C)OC(=O)Nc1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
KCNQ2 O43526 1/20 0.54
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 4/20 0.48
HTT P42858 2/20 0.48
ANPEP P15144 1/20 0.47
GRM5 P41594 1/20 0.46

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
SCHEMBL19388858 1.00 SMN1; SMN2 (0.56) SMN1; SMN2KCNQ2TAS1R3TAS1R1ALDH1A1
SCHEMBL799896 0.84 SMN1; SMN2 (0.70) SMN1; SMN2TAS1R3TAS1R1ALDH1A1KMT2A
SCHEMBL21103629 0.81 KMT2A (0.57) SMN1; SMN2ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL14306608 0.79 KDM4E (0.73) ALDH1A1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL17880836 0.79 KDM4E (0.73) ALDH1A1KMT2AKDM4EL3MBTL1NPC1
SCHEMBL27448738 0.79 KCNQ2 (0.54) SMN1; SMN2KCNQ2TAS1R3TAS1R1ALDH1A1
SCHEMBL27641787 0.78 KMT2A (0.51) SMN1; SMN2KCNQ2TAS1R3TAS1R1ALDH1A1
SCHEMBL10639437 0.78 RAB9A (0.50) SMN1; SMN2ALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL1189632 0.78 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1KMT2ANPC1RAB9A
SCHEMBL8089265 0.77 ANPEP (0.52) SMN1; SMN2KCNQ2TAS1R3TAS1R1ALDH1A1

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-2010065085-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2010-06-10 WO disclosed