SCHEMBL6635555

SCHEMBL6635555

CCCCCCCCCCCCCCCCCC(=O)NNC(=O)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.65
HDAC3 O15379 6/20 0.65
HDAC2 Q92769 6/20 0.65
POLB P06746 1/20 0.65
GAA P10253 1/20 0.63
LMNA P02545 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
HDAC8 Q9BY41 6/20 0.57
HDAC4 P56524 4/20 0.57
HDAC7 Q8WUI4 4/20 0.57
HDAC10 Q969S8 4/20 0.57
HDAC11 Q96DB2 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
HDAC9 Q9UKV0 4/20 0.57
HDAC5 Q9UQL6 4/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55

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
SCHEMBL10058977 0.94 GAA (0.69) HDAC1HDAC3HDAC2POLBGAA
SCHEMBL6637896 0.89 HDAC3 (0.67) HDAC1HDAC3HDAC2POLBNPC1
SCHEMBL28929263 0.86 NPC1 (0.62) HDAC1HDAC3HDAC2POLBLMNA
SCHEMBL9205365 0.85 THRA (0.59) HDAC1POLBGAALMNAALDH1A1
SCHEMBL10058954 0.84 GAA (0.85) HDAC1HDAC3HDAC2POLBGAA
SCHEMBL9202138 0.84 GAA (0.56) HDAC1HDAC3HDAC2POLBGAA
SCHEMBL14491137 0.83 KMT2A (0.67) HDAC1HDAC3HDAC2POLBNPC1
SCHEMBL6637333 0.83 POLB (0.81) POLBGAALMNAALDH1A1MEN1
SCHEMBL6637069 0.82 HDAC3 (0.89) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL15482048 0.80 MEN1 (0.61) HDAC1HDAC3HDAC2POLBRAB9A

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