SCHEMBL9994772

SCHEMBL9994772

O=C(C1=C(N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)CCCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 16/20 1.00
▸ GPR132 Q9UNW8 1/20 0.50
▸ GPR34 Q9UPC5 1/20 0.50
▸ MME P08473 1/20 0.48
▸ ACE P12821 1/20 0.48
▸ CPA1 P15085 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL9994771 1.00 PPARG (1.00) PPARGGPR132GPR34MMEACE
SCHEMBL7708321 0.92 PPARG (0.84) PPARGGPR132GPR34
SCHEMBL7708314 0.92 PPARG (0.84) PPARGGPR132GPR34
SCHEMBL7708319 0.84 PPARG (0.72) PPARGACE
SCHEMBL8458245 0.81 PPARG (0.65) PPARG
SCHEMBL8458250 0.81 PPARG (0.65) PPARG
SCHEMBL2785014 0.79 PPARG (0.88) PPARG
SCHEMBL2787967 0.78 PPARG (0.67) PPARGGPR34
SCHEMBL2786646 0.78 PPARG (0.67) PPARG
SCHEMBL6182299 0.76 GPR132 (0.77) PPARGGPR132GPR34MMEACE

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-20110300129-A1 SYSTEMS AND METHODS FOR ENHANCING VACCINE EFFICACY UNIVERSITY OF ROCHESTER (US) 2011-12-08 — — US disclosed
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