SCHEMBL6678710

SCHEMBL6678710

Cn1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1OC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
MTTP P55157 13/20 0.46
APOB P04114 4/20 0.44
HTT P42858 1/20 0.44
NTRK1 P04629 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6678708 0.84 MTTP (0.48) ALDH1A1HPGDKMT2AMTTPAPOB
SCHEMBL6673930 0.78 MTTP (0.51) MTTPAPOBGAA
SCHEMBL6673563 0.78 MTTP (0.47) ALDH1A1HPGDKMT2AMTTPAPOB
SCHEMBL31393757 0.74 CHRNB2 (0.71) ALDH1A1MTTPAPOBHTTGAA
SCHEMBL7083817 0.74 HTT (0.56) ALDH1A1MTTPAPOBHTTNTRK1
SCHEMBL6278519 0.72 MTTP (0.55) ALDH1A1MTTPAPOBGAA
SCHEMBL6675345 0.72 MTTP (0.49) MTTPAPOBGAA
SCHEMBL6673562 0.72 MTTP (0.47) MTTPAPOBGAA
SCHEMBL6692224 0.72 APOB (0.51) ALDH1A1MTTPAPOBHTTGAA
SCHEMBL6850836 0.71 GAA (0.61) ALDH1A1MTTPAPOBGAA

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