SCHEMBL12460947

SCHEMBL12460947

C=C(CCCCCCN1Cc2ccccc2Oc2ccccc21)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC3 O15379 7/20 0.42
HDAC2 Q92769 7/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC4 P56524 6/20 0.42
HDAC7 Q8WUI4 6/20 0.42
HDAC10 Q969S8 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42

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
SCHEMBL1367376 0.86 HDAC6 (0.58) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9368290 0.77 ALDH1A1 (0.46) MAOAMAOBKMT2AMEN1ALDH1A1
SCHEMBL1369420 0.76 NAMPT (0.49) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL7838597 0.75 PTGER2 (0.42) PTGER2MAOAMAOBALOX15KMT2A
SCHEMBL17425318 0.73 HDAC8 (0.77) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL8951821 0.72 SLC6A4 (0.51) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL1366120 0.69 HDAC3 (0.53) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL9200716 0.68 PARP1 (0.42) PTGER2ALOX15KMT2AALDH1A1KDM4E
SCHEMBL9194995 0.68 SIRT1 (0.49) HDAC6HDAC1HDAC3MAPTP2RX4
SCHEMBL1366170 0.67 HDAC6 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343286-A1 Dibenzo[b,f][1,4]oxazepine derivatives as inhibitors of histone deacetylase Methylgene, Inc. (CA) 2011-07-13 EP disclosed