SCHEMBL20122339

SCHEMBL20122339

CC(C)(C)OC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
CAPN1 P07384 1/20 0.53
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NOD1 Q9Y239 1/20 0.48
FOLH1 Q04609 1/20 0.47
CYP3A4 P08684 1/20 0.47
GLP1R P43220 7/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALB P02768 2/20 0.45

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
SCHEMBL20122340 0.95 CAPN1 (0.57) MEN1GAAKMT2ACAPN1HDAC1
SCHEMBL31407837 0.94 MEN1 (0.56) MEN1GAAKMT2ACAPN1HDAC1
SCHEMBL29890582 0.93 NOD1 (0.58) CAPN1NOD1GLP1RCTSSCTSK
SCHEMBL3661736 0.93 CAPN1 (0.51) MEN1GAAKMT2ACAPN1HDAC1
SCHEMBL3661740 0.93 CAPN1 (0.51) MEN1GAAKMT2ACAPN1HDAC1
SCHEMBL31601080 0.92 MEN1 (0.57) MEN1GAAKMT2ACAPN1HDAC1
SCHEMBL21702752 0.92 MEN1 (0.63) MEN1GAAKMT2ACAPN1HDAC1
SCHEMBL30684511 0.91 MEN1 (0.58) MEN1GAAKMT2ACAPN1HDAC1
SCHEMBL391537 0.91 MEN1 (0.65) MEN1GAAKMT2ACAPN1TDP1
SCHEMBL10241524 0.91 MEN1 (0.65) MEN1GAAKMT2ACAPN1TDP1

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-9963427-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2018-05-08 US disclosed