SCHEMBL6676799

SCHEMBL6676799

Nc1ccc(OC(=O)NCc2ccc(-c3ccccc3)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
EPHX1 P07099 1/20 0.47
HDAC2 Q92769 3/20 0.46
HDAC3 O15379 2/20 0.46
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MGLL Q99685 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 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
SCHEMBL6674607 0.80 ATG4B (0.55) HDAC1ALDH1A1LMNAEPHX1HDAC2
SCHEMBL7040334 0.78 ESRRG (0.58) HDAC1ALDH1A1LMNAHDAC2HDAC3
SCHEMBL10133046 0.75 MGLL (0.65) HDAC1ALDH1A1LMNAEPHX1MGLL
SCHEMBL3274691 0.72 FAAH (0.64) HDAC1ALDH1A1LMNAEPHX1MGLL
SCHEMBL8245493 0.71 LMNA (0.64) HDAC1ALDH1A1LMNAHDAC2HDAC3
SCHEMBL1730117 0.70 LMNA (0.68) HDAC1ALDH1A1LMNAHDAC2HDAC3
SCHEMBL4437536 0.70 POLB (0.53) HDAC1ALDH1A1LMNAEPHX1NPC1
SCHEMBL1691047 0.70 HDAC1 (0.67) HDAC1ALDH1A1LMNAHDAC2HDAC3
SCHEMBL9124263 0.69 MGLL (0.61) HDAC1ALDH1A1LMNAEPHX1MGLL
SCHEMBL10133070 0.69 HIF1A (0.51) ALDH1A1LMNAEPHX1EPHX2MGLL

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-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 WO disclosed