SCHEMBL7874665

SCHEMBL7874665

CC(=O)Oc1cccc([C@H](O)CCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
BCHE P06276 6/20 0.46
ACHE P22303 6/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL21647785 0.87 ACHE (0.54) BCHEACHECYP3A4LMNAL3MBTL1
SCHEMBL10110960 0.84 ALOX5 (0.46) PPARGPPARASMN1; SMN2L3MBTL1
SCHEMBL8403516 0.84 ALOX5 (0.46) PPARGPPARASMN1; SMN2L3MBTL1
SCHEMBL7871801 0.84 PPARG (0.43) PPARGPPARABCHEACHEL3MBTL1
SCHEMBL7169569 0.83 AOC3 (0.56) L3MBTL1
SCHEMBL715536 0.79 CYP3A4 (0.56) ACHECYP3A4LMNANPC1RAB9A
SCHEMBL11606793 0.78 CYP3A4 (0.54) ACHECYP3A4LMNAL3MBTL1ALDH1A1
SCHEMBL8403319 0.78 CYSLTR2 (0.46) CYP3A4LMNASMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11192619 0.77 L3MBTL1 (0.51) ACHECYP3A4LMNAL3MBTL1HTT
SCHEMBL10359989 0.77 MAPK1 (0.53) PPARGPPARACYP3A4LMNASMN1; SMN2

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
US-6316405-B1 CYCLOSPORIN A, POLYPEPTIDES, COMPONENT OF AMYLOID PLAQUES FOUND IN NEUROLOGICAL DISORDERS SUCH AS ALZHEIMER'S DISEASE, MULTIPLE SCLEROSIS, AND AMYOTROPHIC LATERAL SCLEROSIS. THE CONJUGATES ARE USEFUL IN THE TREATMENT OF NEUROLOGICAL WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-11-13 US disclosed