SCHEMBL8971794

SCHEMBL8971794

CCCC(=O)c1ccc(CCCCN)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.60
THRB P10828 11/20 0.60
L3MBTL1 Q9Y468 2/20 0.54
HSD17B3 P37058 1/20 0.53
HAO1 Q9UJM8 1/20 0.51
RARB P10826 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL10453048 0.88 L3MBTL1 (0.59) THRATHRBL3MBTL1HSD17B3HPGD
SCHEMBL15960542 0.86 THRA (0.79) THRATHRBHAO1RARB
SCHEMBL83484 0.86 THRA (0.68) THRATHRBL3MBTL1HSD17B3HAO1
SCHEMBL24777868 0.85 THRA (0.72) THRATHRBHAO1RARBHTR2A
SCHEMBL8971789 0.83 THRA (0.60) THRATHRBL3MBTL1HSD17B3HAO1
SCHEMBL28908404 0.83 THRA (0.79) THRATHRBL3MBTL1HSD17B3HAO1
SCHEMBL12600892 0.81 NPC1 (0.66) THRATHRBL3MBTL1HSD17B3HAO1
SCHEMBL30089476 0.80 THRA (0.70) THRATHRBL3MBTL1HSD17B3HAO1
SCHEMBL27604328 0.80 HSD17B3 (0.62) THRATHRBL3MBTL1HSD17B3HPGD
SCHEMBL11267102 0.80 DPP4 (0.51) THRATHRBL3MBTL1HSD17B3

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-0596802-B1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1996-03-20 EP disclosed
EP-0596802-A1 Erythromycin derivatives, their process of preparation and their application as medicaments ROUSSEL UCLAF (FR) 1994-05-11 EP disclosed