SCHEMBL7738359

SCHEMBL7738359

Nc1cccc(COCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
FFAR1 O14842 7/20 0.44
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
FFAR4 Q5NUL3 4/20 0.41
AKR1B1 P15121 1/20 0.40
CYP19A1 P11511 1/20 0.40
KEAP1 Q14145 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
SCHEMBL15152717 0.83 THRA (0.51) THRATHRBFFAR1MAOBMAOA
SCHEMBL7417683 0.82 FFAR1 (0.46) THRATHRBFFAR1FFAR4AKR1B1
SCHEMBL508419 0.81 TSHR (0.56) FFAR1FFAR4KEAP1
SCHEMBL26204782 0.81 THRA (0.56) THRATHRBFFAR1MAOBFFAR4
SCHEMBL19555352 0.81 THRA (0.57) THRATHRBFFAR1MAOBMAOA
SCHEMBL30025737 0.81 THRA (0.57) THRATHRBFFAR1MAOBMAOA
SCHEMBL31469078 0.80 MAOB (0.46) THRATHRBMAOBMAOACYP19A1
Hydrochloric Acid SCHEMBL4589727 0.79 TSHR (0.54) FFAR1FFAR4KEAP1
SCHEMBL366865 0.78 MAOB (0.56) THRATHRBMAOBMAOACYP19A1
SCHEMBL28472237 0.78 LMNA (0.47) THRATHRBMAOBMAOACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782151-B1 Method of manufacturing an improved electrically conductive polymer, its use in the manufacture of electric cable and cable manufactured by this method NEXANS (FR) 2002-02-13 EP claimed