SCHEMBL6673887

SCHEMBL6673887

Cc1ccc(-c2ccccc2C(=O)Nc2cc(OC(=O)O)n(C)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTT P42858 4/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
AVPR2 P30518 1/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.42
AURKA O14965 1/20 0.42
OPRL1 P41146 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL6673895 0.93 CHRNB2 (0.56) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6675660 0.90 HTT (0.51) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6673930 0.87 MTTP (0.51) GAAKDM4ESMN1; SMN2
SCHEMBL6675775 0.84 CHRNB2 (0.44) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6673884 0.83 L3MBTL1 (0.55) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6675696 0.80 LMNA (0.43) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6680330 0.78 MTTP (0.49) KDM4E
SCHEMBL31393753 0.78 CHRNB2 (0.78) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7258136 0.77 MTTP (0.43) GAAKDM4ESMN1; SMN2
SCHEMBL6677178 0.76 MTTP (0.47) GAAKDM4ESMN1; SMN2

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