SCHEMBL4747119

SCHEMBL4747119

COC(=O)C1CCCN1Cc1cccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.59
PPARG P37231 7/20 0.59
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.43
CD274 Q9NZQ7 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
GRM2 Q14416 1/20 0.42
SCN9A Q15858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 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
SCHEMBL4748089 0.98 PPARA (0.58) PPARAPPARGPOLBALDH1A1SMN1; SMN2
SCHEMBL4743964 0.92 PPARA (0.57) PPARAPPARGPOLBALDH1A1SMN1; SMN2
SCHEMBL4743974 0.92 PPARA (0.57) PPARAPPARGPOLBALDH1A1SMN1; SMN2
SCHEMBL4748393 0.91 KDM4E (0.50) PPARAPPARGALDH1A1KDM4ESPHK1
SCHEMBL4748486 0.91 POLB (0.56) PPARAPPARGPOLBCD274SPHK1
SCHEMBL4744522 0.89 PPARA (0.56) PPARAPPARGPOLBALDH1A1SMN1; SMN2
SCHEMBL4787982 0.88 ALDH1A1 (0.54) PPARAPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL4743886 0.88 POLB (0.58) PPARAPPARGPOLBCD274SPHK1
SCHEMBL4743930 0.86 PPARG (0.53) PPARAPPARGPOLBALDH1A1SMN1; SMN2
SCHEMBL4748208 0.86 PPARG (0.53) PPARAPPARGPOLBALDH1A1SMN1; 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
WO-2008117982-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITION FOR INHIBITING LIPID ACCUMULATION CONTAINING SAME CRYSTAL GENOMICS, INC. (KR) 2008-10-02 WO disclosed