Sugi Predict

Sugi Predict / Compounds / SCHEMBL7212353

SCHEMBL7212353

SCHEMBL7212353

Cc1cc(NC(=O)CC(=O)OC(=O)CC(=O)Nc2cc(C)c(Oc3ccc(OC(=O)CC(=O)Nc4cc(C)c(Oc5ccc(O)c(C(=O)c6ccc(F)cc6)c5)c(C)c4)c(C(=O)c4ccc(F)cc4)c3)c(C)c2)cc(C)c1Oc1ccc(O)c(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 9/20 0.47
▸ THRB P10828 9/20 0.47
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL4965106 0.88 THRA (0.50) THRATHRBKDM4EMEN1NPC1
SCHEMBL7207345 0.88 THRA (0.50) THRATHRBKDM4EMEN1NPC1
SCHEMBL1641091 0.85 THRB (0.61) THRATHRB
SCHEMBL7212348 0.85 THRB (0.61) THRATHRB
SCHEMBL4965136 0.79 THRB (0.56) THRATHRB
SCHEMBL8799347 0.79 THRA (0.60) THRATHRB
SCHEMBL8799539 0.78 THRA (0.68) THRATHRBMAPT
SCHEMBL7213674 0.77 THRA (0.72) THRATHRB
SCHEMBL4965153 0.74 THRA (0.53) THRATHRBKDM4EMEN1NPC1
SCHEMBL4962675 0.74 THRA (0.53) THRATHRBKDM4EMEN1NPC1

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-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 — — EP disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 — — WO disclosed