SCHEMBL8979411

SCHEMBL8979411

O=C(CCCCCNc1ccccc1)OC(=O)CCCCCNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.55
HDAC3 O15379 9/20 0.55
HDAC2 Q92769 9/20 0.55
NCOR2 Q9Y618 2/20 0.55
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.51
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
HDAC6 Q9UBN7 10/20 0.44
HDAC4 P56524 9/20 0.44
HDAC7 Q8WUI4 9/20 0.44
HDAC11 Q96DB2 9/20 0.44
HDAC8 Q9BY41 9/20 0.44
HDAC9 Q9UKV0 9/20 0.44
HDAC5 Q9UQL6 9/20 0.44
HDAC10 Q969S8 8/20 0.44
NCOR1 O75376 2/20 0.44

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
SCHEMBL1472555 0.88 LMNA (0.66) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL11404787 0.84 ALDH1A1 (0.68) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL8705157 0.84 ALDH1A1 (0.68) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL16691726 0.84 ALDH1A1 (0.59) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL15068944 0.84 ALDH1A1 (0.59) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL859720 0.84 ALDH1A1 (0.59) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL19816825 0.84 ALDH1A1 (0.59) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL19816482 0.84 ALDH1A1 (0.59) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL4624978 0.84 ALDH1A1 (0.59) HDAC1HDAC3HDAC2NCOR2ALDH1A1
SCHEMBL8390655 0.84 ALDH1A1 (0.59) HDAC1HDAC3HDAC2NCOR2ALDH1A1

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-0710225-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN Biotechnik GmbH (DE) 1996-05-08 EP disclosed
WO-1995032181-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN BIOTECHNIK GMBH (DE) 1995-11-30 WO disclosed