SCHEMBL8589850

SCHEMBL8589850

COC(=O)c1ccccc1S(=O)(=O)N1CCc2cc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ APOB P04114 11/20 0.48
▸ MTTP P55157 10/20 0.48
▸ PPARG P37231 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 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
SCHEMBL6962135 0.92 GAA (0.60) GAASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL8550062 0.80 KDM4E (0.57) GAASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL8587342 0.79 APOB (0.52) APOBMTTP
SCHEMBL8200962 0.79 MTTP (0.52) APOBMTTP
SCHEMBL9232371 0.77 NAMPT (0.52) GAASMN1; SMN2ALDH1A1APOBMTTP
SCHEMBL8207493 0.77 ITGB3 (0.55) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL6667492 0.74 NOTUM (0.60) GAASMN1; SMN2MAPTLMNAAPOB
SCHEMBL7076183 0.73 KMT2A (0.58) SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL8208394 0.73 APOB (0.49) APOBMTTPTP53
SCHEMBL8470621 0.73 APOB (0.47) APOBMTTP

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-0832069-A1 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 INC. (US) 1998-04-01 — — EP disclosed
WO-1996040640-A1 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 INC. (US) 1996-12-19 — — WO disclosed
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