SCHEMBL6673783

SCHEMBL6673783

COC(=O)CCNC(=O)Oc1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cn1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.48
APOB P04114 7/20 0.48
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPV4 Q9HBA0 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL6674929 0.93 MTTP (0.49) MTTPAPOBGAASMN1; SMN2ALDH1A1
SCHEMBL6678823 0.92 MTTP (0.47) MTTPAPOBGAASMN1; SMN2
SCHEMBL6677178 0.88 MTTP (0.47) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL7042807 0.88 MTTP (0.49) MTTPAPOBGAASMN1; SMN2ALDH1A1
SCHEMBL6680172 0.86 MTTP (0.46) MTTPAPOBTRPV4
SCHEMBL7253319 0.85 MTTP (0.50) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL6674644 0.85 MTTP (0.45) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL6673930 0.84 MTTP (0.51) MTTPAPOBGAASMN1; SMN2KDM4E
SCHEMBL7258136 0.84 MTTP (0.43) MTTPAPOBGAASMN1; SMN2TRPV4
SCHEMBL6685186 0.84 MTTP (0.49) 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 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