SCHEMBL11577658

SCHEMBL11577658

CCCCCCCCCCCC(=O)OC(=O)C(CCCCCCCCCC)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.47
PPARG P37231 4/20 0.44
PPARA Q07869 2/20 0.44
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
PAM P19021 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
DGKA P23743 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40

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
SCHEMBL11617523 1.00 CTRC (0.47) CTRCPPARGPPARAPTGESALOX5
SCHEMBL11617518 0.90 CTRC (0.52) CTRCPPARGPPARAPTGESALOX5
SCHEMBL11577652 0.90 CTRC (0.52) CTRCPPARGPPARAPTGESALOX5
SCHEMBL9328682 0.89 TP53 (0.50) CTRCKMT2A
SCHEMBL8722173 0.84 PPARG (0.51) CTRCPPARGPPARAPTGESALOX5
SCHEMBL28332594 0.83 CTRC (0.51) CTRCPPARGPPARAPTGESALOX5
SCHEMBL28830146 0.83 CTRC (0.44) CTRCPPARGPPARAPTGESALOX5
SCHEMBL15902941 0.82 CTRC (0.50) CTRCPPARGPPARAPTGESALOX5
SCHEMBL13444679 0.82 TSHR (0.51) CTRCPPARGPTGESALOX5KDM4E
SCHEMBL28508756 0.82 CTRC (0.50) CTRCPPARGPPARAPTGESALOX5

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-4097665-A Diacylnucleosides and process for preparing the same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-27 US disclosed