SCHEMBL6636353

SCHEMBL6636353

CCCCCCCCCCCCCCCCCCNNC(=O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.53
HDAC3 O15379 6/20 0.53
HDAC2 Q92769 5/20 0.53
EPHX1 P07099 8/20 0.48
HDAC8 Q9BY41 3/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CASP2 P42575 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
NAAA Q02083 1/20 0.40

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
SCHEMBL6635766 0.92 HDAC3 (0.50) HDAC1HDAC3HDAC2HDAC8HDAC11
SCHEMBL28262948 0.82 HDAC3 (0.47) HDAC1HDAC3HDAC2EPHX1HDAC8
SCHEMBL27966662 0.81 EPHX1 (0.52) HDAC1HDAC3HDAC2EPHX1HDAC8
SCHEMBL28041964 0.81 EPHX1 (0.52) HDAC1HDAC3HDAC2EPHX1HDAC8
SCHEMBL27150348 0.81 EPHX1 (0.52) HDAC1HDAC3HDAC2EPHX1HDAC8
SCHEMBL2420545 0.81 EPHX1 (0.52) HDAC1HDAC3HDAC2EPHX1HDAC8
SCHEMBL13731861 0.81 EPHX1 (0.52) HDAC1HDAC3HDAC2EPHX1HDAC8
SCHEMBL9539874 0.81 EPHX1 (0.52) HDAC1HDAC3HDAC2EPHX1HDAC8
SCHEMBL21122034 0.81 EPHX1 (0.52) HDAC1HDAC3HDAC2EPHX1HDAC8
SCHEMBL7066153 0.80 EPHX1 (0.63) HDAC1HDAC3HDAC2EPHX1

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