SCHEMBL27554010

SCHEMBL27554010

CCCCCCc1cccc(S([O])(=O)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.55
LIPG Q9Y5X9 3/20 0.55
PPARA Q07869 6/20 0.49
PPARG P37231 5/20 0.49
CA2 P00918 1/20 0.47

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
SCHEMBL11426304 0.88 LPL (0.57) LPLLIPGPPARAPPARGCA2
SCHEMBL11828390 0.88 LPL (0.57) LPLLIPGPPARAPPARGCA2
SCHEMBL11266570 0.88 LPL (0.57) LPLLIPGPPARAPPARGCA2
SCHEMBL6444977 0.86 LPL (0.56) LPLLIPGPPARAPPARGCA2
SCHEMBL331256 0.86 KAT6A (0.48) LPLLIPGCA2
SCHEMBL19333407 0.85 CA2 (0.63) LPLLIPGPPARAPPARGCA2
SCHEMBL6580835 0.85 LPL (0.58) LPLLIPGPPARAPPARGCA2
SCHEMBL6578230 0.85 LPL (0.58) LPLLIPGPPARAPPARGCA2
SCHEMBL11180128 0.85 LPL (0.58) LPLLIPGPPARAPPARGCA2
SCHEMBL30996485 0.85 LPL (0.58) LPLLIPGPPARAPPARGCA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1306935-C Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1183277-A Vasopressin antagonist and oxytocin antagonist OTASUKA PHARMACEUTICAL CO LTD (JP) 1998-06-03 CN disclosed