SCHEMBL5282022

SCHEMBL5282022

COc1ccc(Oc2c(Br)cc(OC(C)=O)c(C)c2Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.48
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
TUBB1 Q9H4B7 4/20 0.43
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 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
SCHEMBL5277949 0.89 THRA (0.43) BACE1KDM4EPOLBMEN1KMT2A
SCHEMBL7115993 0.86 L3MBTL1 (0.39) KDM4EMAPTMEN1RAB9AKMT2A
SCHEMBL5283377 0.85 THRA (0.37) BACE1KDM4EPOLBCFDCYP3A4
SCHEMBL5283822 0.83 THRB (0.57) THRATHRB
SCHEMBL5279150 0.83 THRA (0.40) KDM4EPOLBTHRATHRB
SCHEMBL7112160 0.81 BACE1 (0.52) BACE1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5288578 0.79 ERN1 (0.44) THRATHRB
SCHEMBL5281913 0.79 THRA (0.59) THRATHRB
SCHEMBL5285430 0.77 THRA (0.41) POLBTHRATHRBGAA
SCHEMBL5280883 0.77 THRA (0.40) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1862450-A2 Novel compounds KARO BIO AB (SE) 2007-12-05 EP disclosed
EP-1537073-B1 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KAROBIO AB (SE) 2007-09-12 EP disclosed
EP-1537073-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2005-06-08 EP disclosed
WO-2004007430-A2 BENZAMIDE OR PHENYLACETAMIDE DERIVATIVES USEFUL AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2004-01-22 WO disclosed