SCHEMBL2653858

SCHEMBL2653858

CCCCC(CCCCCC(Oc1ccc(OC)cc1)C(=O)Nc1nccs1)C(=O)N(Oc1ccc(Cl)c(C(F)(F)F)c1)c1nccs1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HSPA5 P11021 1/20 0.36
▸ PTGES O14684 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ FFAR2 O15552 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LIMK1 P53667 1/20 0.33

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
SCHEMBL1565103 0.85 LMNA (0.48) LMNAHSPA5PTGESALOX5PPARG
SCHEMBL2654200 0.81 NPC1 (0.43) LMNAHSPA5NPC1RAB9APKM
SCHEMBL1565298 0.78 NPC1 (0.56) LMNAHSPA5NPC1RAB9APKM
SCHEMBL2653915 0.77 SMN1; SMN2 (0.39) LMNAHSPA5PPARGNPC1RAB9A
SCHEMBL1565568 0.77 NPC1 (0.55) LMNAHSPA5NPC1RAB9APKM
SCHEMBL2652000 0.76 HSPA5 (0.36) LMNAHSPA5NPC1RAB9AFFAR2
SCHEMBL2655334 0.76 FFAR2 (0.42) LMNAHSPA5PPARGNPC1RAB9A
SCHEMBL2655304 0.75 CYP1A2 (0.39) LMNAHSPA5NPC1RAB9APKM
SCHEMBL1565765 0.75 LMNA (0.53) LMNAHSPA5NPC1RAB9APKM
SCHEMBL1565548 0.72 HSPA5 (0.49) LMNAHSPA5NPC1RAB9APKM

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-1458382-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2004-09-22 — — EP claimed
WO-2003055482-A1 AMIDE DERIVATIVES AS GK ACTIVATORS NOVO NORDISK A/S (DK) 2003-07-10 — — WO claimed
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