SCHEMBL6639593

SCHEMBL6639593

CC(C)CNNC(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP8 P22894 2/20 0.34
MMP1 P03956 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MLYCD O95822 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
SCHEMBL5723527 0.78
SCHEMBL8932181 0.76 CYP2D6 (0.54) CYP2D6CYP2C19MMP8MMP1KDM4E
SCHEMBL3534568 0.73 LMNA (0.41) HDAC3KDM4EL3MBTL1HTT
SCHEMBL8844118 0.73
SCHEMBL2671597 0.72 APLNR (0.46) CYP2D6GAA
SCHEMBL24253280 0.71
SCHEMBL5300435 0.71
SCHEMBL19981705 0.71 CYP2D6 (0.42) CYP2D6CYP2C19MMP8MMP1HDAC3
SCHEMBL6635776 0.71 L3MBTL1 (0.46) CYP2C19HDAC3HDAC8KDM4EL3MBTL1
SCHEMBL22824825 0.70 CYP2D6 (0.41) CYP2D6CYP2C19MMP8MMP1HDAC3

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-1420044-A2 Rubber composition and pneumatic tire Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6380288-B1 LOW HEAT GENERATION PROPERTY, AGING REISTANCE, ALSO FOR PRODUCING VIBRATION ISOLATORS, BELTS AND HOSES AS WELL AS TIRE MATERIALS SUCH AS TIRE TREADS, UNDERTREADS, CARCASSES, SIDE WALLS AND BEADS BRIDGESTONE CORPORATION 2002-04-30 US disclosed
EP-0909788-A1 RUBBER COMPOSITION AND PNEUMATIC TIRES Bridgestone Corporation (JP) 1999-04-21 EP disclosed