SCHEMBL6974231

SCHEMBL6974231

O=C(Nc1ccc2c(c1)CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)C2)Oc1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ APOB P04114 7/20 0.41
▸ MTTP P55157 6/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARD Q03181 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ AKR1C3 P42330 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL6962034 0.85 APOB (0.44) HDAC6GAASMN1; SMN2NAMPTMAPT
SCHEMBL6962760 0.85 APOB (0.44) HDAC6GAASMN1; SMN2NAMPTKDM4E
SCHEMBL8473043 0.83 HDAC6 (0.42) HDAC6GAASMN1; SMN2NAMPTMAPT
SCHEMBL6974835 0.78 ABCB1 (0.48) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL6969471 0.78 KEAP1 (0.44) HDAC6GAANAMPTMAPTAPOB
SCHEMBL6964486 0.78 PLAU (0.46) GAAMAPTAPOBMTTPKMT2A
SCHEMBL6962135 0.77 GAA (0.60) HDAC6GAASMN1; SMN2MAPTKDM4E
SCHEMBL6974444 0.77 KDM4E (0.44) GAAMAPTKDM4EALDH1A1APOB
SCHEMBL6973499 0.77 SMO (0.45) APOBMTTP
SCHEMBL6970162 0.77 NAMPT (0.47) NAMPTKDM4EAPOBMTTP

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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