SCHEMBL11961305

SCHEMBL11961305

CCCCOc1ccc(C[C@H](N)C(=O)OC)cc1OCCCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ PPARG P37231 2/20 0.50
▸ PTGES O14684 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ SIGMAR1 Q99720 5/20 0.47
▸ REN P00797 8/20 0.45
▸ ALOX15 P16050 1/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ LPAR2 Q9HBW0 1/20 0.43

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
SCHEMBL16124149 0.95 ALDH1A1 (0.57) ALDH1A1SIGMAR1REN
SCHEMBL16118740 0.90 ALDH1A1 (0.48) ALDH1A1PPARGPTGESALOX5SIGMAR1
SCHEMBL11960850 0.86 PPARG (0.58) PPARGPTGESALOX5SIGMAR1ALOX15
SCHEMBL15111742 0.85 ATM (0.53) ALDH1A1PPARGS1PR2S1PR1S1PR3
SCHEMBL15111743 0.85 ATM (0.53) ALDH1A1PPARGS1PR2S1PR1S1PR3
SCHEMBL18313824 0.85 PPARG (0.41) ALDH1A1PPARGPTGESALOX5SIGMAR1
SCHEMBL19509032 0.84 PPARG (0.56) ALDH1A1PPARGPTGESALOX5SIGMAR1
SCHEMBL10084808 0.83 ACACB (0.55) PPARG
SCHEMBL13126082 0.83 ACACB (0.55) PPARG
SCHEMBL12473156 0.83 ACACB (0.55) PPARG

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
EP-2252578-B1 CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS UNIV RAMOT (IL) 2012-08-01 — — EP disclosed
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