SCHEMBL4849974

SCHEMBL4849974

O=C(O)[C@H](CCl)COc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
LMNA P02545 1/20 0.48
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
ALOX15 P16050 1/20 0.47
MME P08473 2/20 0.46
SCN4A P35499 2/20 0.43
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL7087892 0.83 LMNA (0.50) PPARGPPARALMNAMTNR1AMTNR1B
SCHEMBL11052073 0.81 LMNA (0.53) PPARGPPARALMNAMTNR1AMTNR1B
SCHEMBL10983129 0.80 CYP1A2 (0.66) PPARGPPARAMMECYP1A2
SCHEMBL11134968 0.79 CPA3 (0.57) PPARGPPARALMNAMTNR1AMTNR1B
SCHEMBL5512521 0.78 LMNA (0.57) PPARGPPARALMNAMTNR1AMTNR1B
SCHEMBL11115581 0.77 CYP2C19 (0.49) PPARGPPARALMNAMTNR1AMTNR1B
Ethane SCHEMBL5531789 0.77 LMNA (0.49) PPARGPPARALMNAMTNR1AMTNR1B
SCHEMBL3728369 0.77 PPARG (0.54) PPARGPPARALMNAMTNR1AMTNR1B
SCHEMBL5514903 0.76 TBXA2R (0.47) PPARGPPARALMNAMTNR1AMTNR1B
SCHEMBL27427221 0.76 SLC1A1 (0.61) PPARGPPARAMMECYP1A2

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-1935872-A1 Process for obtaining the R-enantiomer of salbutamol Stirling Products Limited (AU) 2008-06-25 EP disclosed
WO-2008070909-A1 PROCESS FOR OBTAINING THE R-ENANTIOMER OF SALBUTAMOL STIRLING PRODUCTS LIMITED (AU) 2008-06-19 WO disclosed