SCHEMBL5718239

SCHEMBL5718239

O=C(O)CCc1cc(OCc2cccc(NC3CCC3)c2)cc(OCc2cccc(NC3CCC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.51
FFAR4 Q5NUL3 6/20 0.49
THRA P10827 2/20 0.48
THRB P10828 2/20 0.48
AKR1B1 P15121 1/20 0.47
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44

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
SCHEMBL4348115 0.86 THRA (0.67) FFAR1FFAR4THRATHRBESR1
SCHEMBL5718217 0.82 THRA (0.53) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL5718330 0.82 THRA (0.51) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL4357988 0.81 THRA (0.55) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL4931275 0.81 THRA (0.70) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL5718174 0.81 FFAR1 (0.54) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL5718128 0.79 FFAR1 (0.47) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL5718036 0.77 THRA (0.61) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL5718079 0.76 THRA (0.57) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL5718322 0.76 THRA (0.53) FFAR1FFAR4THRATHRBAKR1B1

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