SCHEMBL5718262

SCHEMBL5718262

CSCCNc1cccc(COc2cc(CCC(=O)O)cc(OCc3cccc(NCCSC)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.55
THRB P10828 1/20 0.55
FFAR1 O14842 19/20 0.50
FFAR4 Q5NUL3 6/20 0.48
AKR1B1 P15121 1/20 0.46

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
SCHEMBL5718036 0.88 THRA (0.61) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL4353468 0.86 THRA (0.76) THRATHRBFFAR1FFAR4
SCHEMBL5718107 0.86 THRA (0.59) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL5718371 0.85 THRA (0.55) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL5718079 0.82 THRA (0.57) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL5718671 0.81 THRA (0.56) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL5718678 0.81 THRA (0.56) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL5718382 0.80 THRA (0.58) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL5718174 0.80 FFAR1 (0.54) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL5718217 0.79 THRA (0.53) THRATHRBFFAR1FFAR4AKR1B1

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-1732533-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2006-12-20 EP disclosed
WO-2005092317-A1 THYROID RECEPTOR AGONISTS KARO BIO AB (SE) 2005-10-06 WO disclosed