SCHEMBL4758451

SCHEMBL4758451

CCOC(=O)[C@@H](Cc1ccc(OCCO)cc1)OCC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.57
PPARG P37231 13/20 0.56
PPARD Q03181 7/20 0.56
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
PDE4A P27815 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL4758419 1.00 PPARA (0.57) PPARAPPARGPPARDPGRADORA3
SCHEMBL4755574 1.00 PPARA (0.57) PPARAPPARGPPARDPGRADORA3
SCHEMBL4757415 0.93 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL4790094 0.93 PPARA (0.58) PPARAPPARGPPARD
SCHEMBL5015533 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL5978209 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6387457 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL11932217 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL4883401 0.88 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL6388507 0.87 PPARA (0.74) PPARAPPARGPPARD

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
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed