SCHEMBL14013293

SCHEMBL14013293

CN(CCC(C)(C)C)c1nc2ccccc2o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 11/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
PPARA Q07869 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
KMT2A Q03164 1/20 0.39
PPARD Q03181 1/20 0.38

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
SCHEMBL16676572 0.83 PPARG (0.48) PPARGRAB9AMAPTNPC1PPARA
SCHEMBL8651094 0.81 PPARG (0.50) PPARGRAB9AMAPTNPC1PPARA
SCHEMBL16666722 0.81 PPARG (0.49) PPARGRAB9AMAPTNPC1PPARA
SCHEMBL5674725 0.81 PPARG (0.50) PPARGRAB9AMAPTNPC1PPARA
SCHEMBL14038386 0.80 ELANE (0.49) PPARGPPARAHCRTR1HCRTR2
SCHEMBL14188640 0.79 PPARG (0.57) PPARGPPARA
SCHEMBL6799513 0.79 PPARG (0.48) PPARGRAB9AMAPTNPC1PPARA
SCHEMBL3105795 0.78 PPARG (0.49) PPARGRAB9AMAPTNPC1PPARA
SCHEMBL6805662 0.78 PPARG (0.47) PPARGRAB9AMAPTNPC1PPARA
SCHEMBL2541745 0.77 PPARG (0.57) PPARGPPARAHCRTR1HCRTR2

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-7456205-B2 Benzopyran compounds, process for preparing the same and their use SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2008-11-25 US disclosed