SCHEMBL6674613

SCHEMBL6674613

Cc1ccc(-c2ccc(CNC(=O)Oc3cc(NC(=O)c4cccc(C)c4N4CCCCC4)cn3C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
TP53 P04637 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
XBP1 P17861 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 5/20 0.38
POLB P06746 1/20 0.36
KLKB1 P03952 1/20 0.36

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
SCHEMBL7042872 0.87 POLB (0.43) MAPTTP53CRHBPCRHR2ALDH1A1
SCHEMBL6675775 0.82 CHRNB2 (0.44) TP53ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL6674202 0.81 ALDH1A1 (0.47) MAPTTP53ALDH1A1GAANPSR1
SCHEMBL7252308 0.79 ALDH1A1 (0.58) TP53ALDH1A1L3MBTL1HPGDNPC1
SCHEMBL7252437 0.78 HPGD (0.46) TP53ALDH1A1GAAL3MBTL1HPGD
SCHEMBL6675696 0.78 LMNA (0.43) TP53ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL6680330 0.76 MTTP (0.49) KDM4E
SCHEMBL7041929 0.74 L3MBTL1 (0.50) MAPTTP53ALDH1A1GAANPSR1
SCHEMBL7253261 0.71 MTTP (0.43) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL28602317 0.71 HDAC1 (0.52)

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-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