SCHEMBL6635952

SCHEMBL6635952

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
CA2 P00918 1/20 0.33
KMT2A Q03164 1/20 0.31
LMNA P02545 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
SCHEMBL18133680 1.00 RAB9A (0.39) RAB9ASMN1; SMN2ALDH1A1HPGDCA2
SCHEMBL6634844 0.84 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2ALDH1A1HPGDCA2
SCHEMBL24247511 0.82 MAPT (0.39) ALDH1A1HPGDCA2KMT2A
SCHEMBL22728694 0.82 MAPT (0.39) ALDH1A1HPGDCA2KMT2A
SCHEMBL1563254 0.82 RAB9A (0.40) RAB9ASMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL25541097 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HPGDCA2KMT2A
SCHEMBL18680191 0.75 KDM4E (0.43) RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL1562184 0.75 ALDH1A1 (0.37) RAB9ASMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL20758285 0.75 ALDH1A1 (0.39) ALDH1A1HPGDKMT2ALMNA
SCHEMBL1562182 0.75 ALDH1A1 (0.37) RAB9ASMN1; SMN2ALDH1A1HPGDLMNA

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