SCHEMBL6678708

SCHEMBL6678708

Cn1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 12/20 0.48
APOB P04114 4/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
NTRK1 P04629 1/20 0.46
GAA P10253 1/20 0.45
ADAMTS7 Q9UKP4 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
SCHEMBL6678710 0.84 ALDH1A1 (0.48) MTTPAPOBHTTALDH1A1HPGD
SCHEMBL6278519 0.77 MTTP (0.55) MTTPAPOBALDH1A1GAA
SCHEMBL31393757 0.77 CHRNB2 (0.71) MTTPAPOBHTTALDH1A1GAA
SCHEMBL6673562 0.76 MTTP (0.47) MTTPAPOBGAAADAMTS7
SCHEMBL7083817 0.76 HTT (0.56) MTTPAPOBHTTALDH1A1NTRK1
SCHEMBL3726223 0.74 NPC1 (0.61) MTTPAPOBALDH1A1
SCHEMBL6850836 0.74 GAA (0.61) MTTPAPOBALDH1A1GAAADAMTS7
SCHEMBL20665433 0.74 GAA (0.57) MTTPAPOBNTRK1GAAADAMTS7
Xenalipin SCHEMBL133087 0.73 CYP2C8 (0.58) MTTPAPOBGAA
Xenalipin SCHEMBL29881739 0.73 CYP2C8 (0.58) MTTPAPOBGAA

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