SCHEMBL28050352

SCHEMBL28050352

CC(C)C(=O)OC(=O)CI

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 2/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL950803 0.83 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL5799804 0.79 ALDH1A1 (0.43) TSHRLMNA
SCHEMBL386957 0.79 NAAA (0.39) ALOX15TSHRLMNA
SCHEMBL6560484 0.77 ELANE (0.34) TSHRLMNA
SCHEMBL19141781 0.76 MMP1 (0.32) ALOX15MMP1MMP2MMP3MMP9
SCHEMBL181917 0.75 MMP1 (0.43) ALOX15TSHRMMP1MMP2MMP3
SCHEMBL10700496 0.75 NAAA (0.37) ALOX15TSHRLMNA
SCHEMBL18126365 0.75 LMNA (0.48) TSHRLMNA
SCHEMBL16250 0.74 TSHR (0.42) SMN1; SMN2TSHR
SCHEMBL56558 0.74

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-105407927-A Gel formulations for guiding radiotherapy UNIV DENMARK TECH DTU 2016-03-16 CN disclosed