Sugi Predict

Sugi Predict / Compounds / SCHEMBL20057099

SCHEMBL20057099

SCHEMBL20057099

CCCCOCC(NC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 15/20 0.49
▸ CTSS P25774 4/20 0.47
▸ PPARA Q07869 2/20 0.41
▸ PPARG P37231 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PLA2G2C Q5R387 1/20 0.39

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
SCHEMBL16558033 1.00 CTSK (0.49) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL17393 0.87 PPARA (0.53) CTSKCTSSPPARAPPARG
SCHEMBL805173 0.87 PPARA (0.53) CTSKCTSSPPARAPPARG
SCHEMBL13365298 0.87 PPARA (0.53) CTSKCTSSPPARAPPARG
SCHEMBL16561624 0.87 CTSK (0.45) CTSKCTSSPPARA
SCHEMBL12244563 0.87 CTSK (0.45) CTSKCTSSPPARA
SCHEMBL23822627 0.86 CTSK (0.48) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL25527211 0.86 CTSK (0.48) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL15289784 0.86 CTSK (0.48) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL15289799 0.86 CTSK (0.49) CTSKCTSSPPARAPPARGCYP1A2

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
EP-3041827-B1 1,2,4-OXADIAZOLE DERIVATIVES AS IMMUNOMODULATORS AURIGENE DISCOVERY TECH LTD (IN) 2018-04-18 — — EP disclosed