SCHEMBL20122340

SCHEMBL20122340

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.57
GLP1R P43220 8/20 0.52
CTSS P25774 2/20 0.50
CTSK P43235 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NOD1 Q9Y239 1/20 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
SCHEMBL20122339 0.95 MEN1 (0.55) CAPN1GLP1RCTSSCTSKMEN1
SCHEMBL19820011 0.93 CAPN1 (0.55) CAPN1GLP1RCTSSCTSKMEN1
SCHEMBL16504634 0.92 MEN1 (0.58) CAPN1CTSSCTSKMEN1GAA
SCHEMBL16504731 0.92 MEN1 (0.58) CAPN1CTSSCTSKMEN1GAA
SCHEMBL14378789 0.92 MEN1 (0.58) CAPN1CTSSCTSKMEN1GAA
SCHEMBL18879647 0.91 CAPN1 (0.55) CAPN1GLP1RCTSSCTSKMEN1
SCHEMBL20122337 0.90 CAPN1 (0.54) CAPN1GLP1RCTSSCTSKMEN1
SCHEMBL12192760 0.89 MEN1 (0.56) CAPN1CTSSCTSKMEN1GAA
SCHEMBL31407837 0.89 MEN1 (0.56) CAPN1CTSSCTSKMEN1GAA
SCHEMBL3661740 0.88 CAPN1 (0.51) CAPN1GLP1RCTSSCTSKMEN1

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