SCHEMBL6634844

SCHEMBL6634844

CC(=NNC(=O)C(C)C)C(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL18133680 0.84 RAB9A (0.39) SMN1; SMN2RAB9AALDH1A1KMT2AHPGD
SCHEMBL6635952 0.84 RAB9A (0.39) SMN1; SMN2RAB9AALDH1A1KMT2AHPGD
SCHEMBL1563254 0.77 RAB9A (0.40) SMN1; SMN2RAB9AALDH1A1KMT2A
SCHEMBL17666907 0.70 ALDH1A1 (0.50) ALDH1A1HPGD
SCHEMBL18680191 0.70 KDM4E (0.43) SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL1562182 0.70 ALDH1A1 (0.37) SMN1; SMN2RAB9AALDH1A1MAPTTDP1
SCHEMBL1562184 0.70 ALDH1A1 (0.37) SMN1; SMN2RAB9AALDH1A1MAPTTDP1
SCHEMBL17666908 0.70 ALDH1A1 (0.50) ALDH1A1HPGD
SCHEMBL6638403 0.70 ALDH1A1 (0.37) SMN1; SMN2RAB9AALDH1A1MAPTTDP1
SCHEMBL27905423 0.68 ALDH1A1 (0.35) SMN1; SMN2RAB9AALDH1A1MAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0909788-B1 RUBBER COMPOSITION AND PNEUMATIC TIRES BRIDGESTONE CORP (JP) 2004-12-01 EP disclosed
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