SCHEMBL6636306

SCHEMBL6636306

CCCCCCCCCCCCCCCCCCNNC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
FAAH O00519 5/20 0.55
CASP2 P42575 1/20 0.53
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.52
DNM1 Q05193 2/20 0.50
NAAA Q02083 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
EPHX1 P07099 2/20 0.48
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
EPHX2 P34913 1/20 0.47

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
SCHEMBL3357547 1.00 HSP90AA1 (0.57) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL6641767 0.96 HSP90AA1 (0.57) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL6636541 0.96 CASP2 (0.53) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL15277703 0.93 HSP90AA1 (0.50) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL2416986 0.92 HDAC3 (0.61) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL249559 0.92 HDAC3 (0.61) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL248584 0.92 HDAC3 (0.61) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL19060553 0.92 CASP2 (0.64) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL4662735 0.92 HDAC3 (0.61) HSP90AA1FAAHCASP2HDAC3HDAC1
SCHEMBL119271 0.92 HDAC3 (0.61) HSP90AA1FAAHCASP2HDAC3HDAC1

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