SCHEMBL12488246

SCHEMBL12488246

CC(=O)CCCCC[C@@H](C(=O)Nc1cnc2ccccc2c1)N(C(=O)NC1CCCC1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 10/20 0.53
▸ HDAC2 Q92769 6/20 0.46
▸ HDAC4 P56524 6/20 0.46
▸ HDAC3 O15379 5/20 0.46
▸ HDAC7 Q8WUI4 5/20 0.46
▸ HDAC10 Q969S8 5/20 0.46
▸ HDAC11 Q96DB2 5/20 0.46
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.46
▸ HDAC9 Q9UKV0 5/20 0.46
▸ HDAC5 Q9UQL6 5/20 0.46
▸ TRPV1 Q8NER1 4/20 0.45
▸ BDKRB2 P30411 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 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
SCHEMBL5127694 0.86 HDAC1 (0.56) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL5118304 0.82 HDAC1 (0.66) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL5130249 0.79 HDAC1 (0.51) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL5126674 0.76 HDAC1 (0.53) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL5131328 0.75 HDAC1 (0.69) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL5121971 0.75 HDAC1 (0.69) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL5123925 0.74 HDAC1 (0.70) HDAC1HDAC2HDAC4HDAC3HDAC7
Hydrochloric Acid SCHEMBL5131534 0.74 HDAC1 (0.62) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL5130255 0.73 RAB9A (0.46) HDAC1HDAC2HDAC4HDAC3HDAC7
SCHEMBL5124808 0.72 HDAC1 (0.67) HDAC1HDAC2HDAC4HDAC3HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683371-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS Cereno Scientific AB (SE) 2014-01-15 — — EP disclosed
WO-2012120262-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS LARSSON PIA (SE) 2012-09-13 — — WO disclosed
Send feedback