SCHEMBL4758162

SCHEMBL4758162

CCOC(=O)[C@@H](Cc1ccc(OCCO)cc1)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.46
PPARG P37231 9/20 0.46
NR1H4 Q96RI1 2/20 0.44
EPHX2 P34913 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 1/20 0.42
NR4A2 P43354 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
PPARD Q03181 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL4756241 1.00 PPARA (0.46) PPARAPPARGNR1H4EPHX2SMN1; SMN2
SCHEMBL4757538 0.90 NR1H4 (0.43) PPARAPPARGNR1H4EPHX2SMN1; SMN2
SCHEMBL4757529 0.87 PPARG (0.56) PPARAPPARG
SCHEMBL4758642 0.87 PPARG (0.56) PPARAPPARG
SCHEMBL6714818 0.87 PPARG (0.55) PPARAPPARGPPARDLMNA
SCHEMBL4789840 0.87 PPARG (0.56) PPARAPPARG
SCHEMBL6716069 0.86 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL6716374 0.85 PPARA (0.45) PPARAPPARGNR1H4EPHX2NR4A2
SCHEMBL4757418 0.85 PPARA (0.45) PPARAPPARGNR1H4EPHX2NR4A2
SCHEMBL6713389 0.85 L3MBTL1 (0.47) PPARAPPARGSMN1; SMN2RXRARXRB

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