SCHEMBL8525168

SCHEMBL8525168

CCOC(=O)c1ccc(NC(=O)[C@@H]([AsH2])CC(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
HTT P42858 1/20 0.60
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 7/20 0.55
GAA P10253 4/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
CASP3 P42574 1/20 0.55
TRPV1 Q8NER1 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NAMPT P43490 1/20 0.51

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
SCHEMBL8887757 0.84 RAB9A (0.75) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL7408274 0.83 RAB9A (0.66) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL1104176 0.81 RAB9A (0.76) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL31323285 0.81 RAB9A (0.71) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL8839293 0.78 RAB9A (0.81) RAB9AHTTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL29463388 0.78 RAB9A (0.70) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL4923105 0.77 MAPT (0.69) RAB9AALDH1A1MEN1KMT2ATSHR
SCHEMBL12199536 0.77 RAB9A (0.69) RAB9AHTTALDH1A1MEN1KMT2A
SCHEMBL9422337 0.77 SMN1; SMN2 (0.73) RAB9AALDH1A1MEN1KMT2AKDM4E
SCHEMBL6373144 0.76 MAPT (0.59) RAB9AHTTALDH1A1MEN1KMT2A

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
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed