SCHEMBL11577652

SCHEMBL11577652

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.52
PPARG P37231 5/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PPARA Q07869 6/20 0.44
CNR2 P34972 1/20 0.44
CTSG P08311 2/20 0.43
CTRB1 P17538 2/20 0.43
CMA1 P23946 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11617518 1.00 CTRC (0.52) CTRCPPARGPTGESALOX5PRSS1
SCHEMBL8722173 0.94 PPARG (0.51) CTRCPPARGPTGESALOX5ALDH1A1
SCHEMBL11617523 0.90 CTRC (0.47) CTRCPPARGPTGESALOX5PRSS1
SCHEMBL11577658 0.90 CTRC (0.47) CTRCPPARGPTGESALOX5PRSS1
SCHEMBL28332594 0.90 CTRC (0.51) CTRCPPARGPTGESALOX5PRSS1
SCHEMBL15902941 0.88 CTRC (0.50) CTRCPPARGPTGESALOX5PRSS1
SCHEMBL13444679 0.88 TSHR (0.51) CTRCPPARGPTGESALOX5ALDH1A1
SCHEMBL28508756 0.88 CTRC (0.50) CTRCPPARGPTGESALOX5PRSS1
SCHEMBL6342298 0.88 CTRC (0.64) CTRCPPARGPTGESALOX5ALDH1A1
SCHEMBL15903011 0.88 CTRC (0.64) CTRCPPARGPTGESALOX5ALDH1A1

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