SCHEMBL6962034

SCHEMBL6962034

CN(C)S(=O)(=O)N1CCc2cc(NC(=O)Oc3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APOB P04114 9/20 0.44
▸ MTTP P55157 8/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.39

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
SCHEMBL6962760 0.89 APOB (0.44) APOBMTTPHDAC6GAASMN1; SMN2
SCHEMBL6974231 0.85 HDAC6 (0.45) APOBMTTPHDAC6GAASMN1; SMN2
SCHEMBL6970162 0.80 NAMPT (0.47) APOBMTTPNAMPTKDM4E
SCHEMBL6974835 0.80 ABCB1 (0.48) APOBMTTPSMN1; SMN2ALDH1A1KMT2A
SCHEMBL6966377 0.80 APOB (0.44) APOBMTTPNAMPTALDH1A1KDM4E
SCHEMBL6974662 0.80 EPHX2 (0.45) APOBMTTPNAMPT
SCHEMBL6969471 0.79 KEAP1 (0.44) APOBMTTPHDAC6GAANAMPT
SCHEMBL6964486 0.79 PLAU (0.46) APOBMTTPGAAKMT2AMAPT
SCHEMBL6678660 0.79 APOB (0.45) APOBMTTPKMT2AKDM4EMAPT
SCHEMBL6974444 0.79 KDM4E (0.44) APOBMTTPGAAALDH1A1KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 — — EP claimed
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