SCHEMBL5020709

SCHEMBL5020709

NC(=O)CCCc1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.67
HDAC2 Q92769 4/20 0.67
HDAC3 O15379 3/20 0.67
HDAC8 Q9BY41 3/20 0.67
HDAC6 Q9UBN7 3/20 0.67
HDAC5 Q9UQL6 3/20 0.67
HDAC4 P56524 2/20 0.67
HDAC7 Q8WUI4 2/20 0.67
HDAC10 Q969S8 2/20 0.67
HDAC11 Q96DB2 2/20 0.67
HDAC9 Q9UKV0 2/20 0.67
MAPK1 P28482 1/20 0.67
ADRA1A P35348 1/20 0.67
SLC6A3 Q01959 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
TDP1 Q9NUW8 2/20 0.60
NPC1 O15118 1/20 0.60
CASP3 P42574 1/20 0.60

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
SCHEMBL7859 0.96 HDAC1 (0.72) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1285919 0.94 MAPT (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6
Water SCHEMBL28210512 0.94 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL30882658 0.94 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL30882401 0.94 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
Hydrochloric Acid SCHEMBL23062929 0.94 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1285525 0.92 MAPT (0.74) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL5981360 0.92 MAPT (0.74) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL21359026 0.92 MAPT (0.74) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL1327206 0.92 MAPT (0.74) HDAC1HDAC2HDAC3HDAC8HDAC6

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
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
US-RE43343-E1 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-05-01 US disclosed
EP-1233958-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2011-06-29 EP disclosed