SCHEMBL28313142

SCHEMBL28313142

CC(C)(C)OC(=O)NC(CCCC(N)=O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.51
CTSK P43235 11/20 0.50
CTSS P25774 5/20 0.50
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
ACE P12821 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
CAPN1 P07384 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43

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
SCHEMBL1001711 0.92 PPARA (0.47) FOLH1CTSKCTSSMEN1GAA
SCHEMBL1001713 0.92 PPARA (0.47) FOLH1CTSKCTSSMEN1GAA
SCHEMBL1486176 0.92 PPARA (0.47) FOLH1CTSKCTSSMEN1GAA
SCHEMBL21516162 0.90 CTSK (0.47) FOLH1CTSKCTSSMEN1GAA
SCHEMBL3431559 0.89 CTSK (0.51) FOLH1CTSKCTSSMEN1GAA
SCHEMBL6036315 0.89 CTSK (0.51) FOLH1CTSKCTSSMEN1GAA
SCHEMBL3432850 0.89 CTSK (0.51) FOLH1CTSKCTSSMEN1GAA
SCHEMBL3244306 0.89 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL14150791 0.89 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A
SCHEMBL6745774 0.89 CTSK (0.56) CTSKCTSSMEN1GAAKMT2A

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
CN-110088120-A inhibitors of transglutaminase 策迪拉有限公司 2019-08-02 CN disclosed