SCHEMBL8747226

SCHEMBL8747226

C=CC(=O)N(C)C(C)(C)C#N

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL7138072 0.77 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL17472073 0.75 DPP4 (0.31) MAPTTSHRDPP4
SCHEMBL20210993 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4812023 0.75 ALDH1A1 (0.35) ALDH1A1
Phosphonic Acid SCHEMBL2561199 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5478015 0.73 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL18312207 0.73 DPP4 (0.33) MAPTTSHRDPP4
Bicarbonate SCHEMBL8516514 0.73 LMNA (0.35) ALDH1A1
SCHEMBL829991 0.72 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL21239140 0.71 THRA (0.32) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627659-B1 Stabilizers for photothermographic materials with nitrile blocking groups MINNESOTA MINING & MFG (US) 1997-03-05 EP disclosed
EP-0627659-A1 Stabilizers for photothermographic materials with nitrile blocking groups MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-12-07 EP disclosed
US-5300420-A Resistant to thermal release during shelf aging MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-04-05 US disclosed