SCHEMBL4748089

SCHEMBL4748089

COC(=O)C1CCCCN1Cc1cccc(OCc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.58
PPARG P37231 6/20 0.58
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CD274 Q9NZQ7 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX5AP P20292 3/20 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
SCHEMBL4747119 0.98 PPARA (0.59) PPARAPPARGALDH1A1SMN1; SMN2POLB
SCHEMBL4744522 0.92 PPARA (0.56) PPARAPPARGALDH1A1SMN1; SMN2POLB
SCHEMBL4787982 0.91 ALDH1A1 (0.54) PPARAPPARGALDH1A1SMN1; SMN2KDM4E
SCHEMBL4743886 0.91 POLB (0.58) PPARAPPARGPOLBCD274MEN1
SCHEMBL4743964 0.89 PPARA (0.57) PPARAPPARGALDH1A1SMN1; SMN2POLB
SCHEMBL4743974 0.89 PPARA (0.57) PPARAPPARGALDH1A1SMN1; SMN2POLB
SCHEMBL4748393 0.88 KDM4E (0.50) PPARAPPARGALDH1A1KDM4E
SCHEMBL4748486 0.88 POLB (0.56) PPARAPPARGPOLBCD274MEN1
SCHEMBL4744723 0.86 PPARG (0.52) PPARAPPARGALDH1A1SMN1; SMN2POLB
SCHEMBL4744720 0.86 PPARG (0.52) PPARAPPARGALDH1A1SMN1; SMN2POLB

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