SCHEMBL20122287

SCHEMBL20122287

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CTSK P43235 9/20 0.44
CTSS P25774 4/20 0.44
CAPN1 P07384 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
TGM2 P21980 1/20 0.39
FOLH1 Q04609 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL16504745 1.00 MEN1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL16504877 1.00 MEN1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL21372526 1.00 MEN1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL16504878 1.00 MEN1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL15537106 1.00 MEN1 (0.46) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL5632003 0.96 MEN1 (0.50) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL22473734 0.96 MEN1 (0.50) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL8353739 0.96 MEN1 (0.50) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL15124799 0.96 MEN1 (0.50) MEN1KMT2AGAAALDH1A1TSHR
SCHEMBL3439703 0.96 MEN1 (0.50) MEN1KMT2AGAAALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3035923-B1 DITHIOL MUCOLYTIC AGENTS PARION SCIENCES INC (US) 2019-09-25 EP disclosed
US-9963427-B2 Dithiol mucolytic agents PARION SCIENCES, INC. (US) 2018-05-08 US disclosed