SCHEMBL16705489

SCHEMBL16705489

CCC(=O)C(NC(=O)OC(C)C)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.33
CTSK P43235 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.30
ACACB O00763 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
MMP14 P50281 1/20 0.30
LMNA P02545 2/20 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
SCHEMBL10072262 0.92 EPHX1 (0.40) ALOX15SMN1; SMN2CTSKCTSLCTSB
SCHEMBL8918588 0.86 AAK1 (0.30)
SCHEMBL8915468 0.86 AAK1 (0.30)
SCHEMBL18596276 0.86 AAK1 (0.30)
SCHEMBL12462455 0.80 TSHR (0.38) ALOX15SMN1; SMN2HTTTSHR
SCHEMBL12943507 0.79 MMP2 (0.37) TSHRACACBMMP1MMP2MMP3
SCHEMBL20643834 0.79 MMP2 (0.33) ACACBMMP1MMP2MMP3MMP9
SCHEMBL16215355 0.79 SMN1; SMN2 (0.37) ALOX15SMN1; SMN2HTTTSHR
SCHEMBL13561478 0.79 SMN1; SMN2 (0.37) ALOX15SMN1; SMN2HTTTSHR
SCHEMBL21186348 0.78 KDM4E (0.31) ALOX15SMN1; SMN2MAPTMMP1MMP2

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-2503881-B1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2015-05-13 EP disclosed