SCHEMBL17748832

SCHEMBL17748832

C/C=C(\C)C(=O)O.C=CC(O)CCC=CC

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
BLM P54132 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL17748834 1.00 SLC6A2 (0.32) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL31275238 0.83
SCHEMBL869790 0.83
SCHEMBL869791 0.83
Butyric Acid SCHEMBL17748852 0.79 FFAR3 (0.45) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL15796546 0.79 PPARG (0.30)
SCHEMBL31719711 0.79 PPARG (0.30)
SCHEMBL1834214 0.79 PPARG (0.30)
SCHEMBL31191393 0.78 AKR1B1 (0.34) SLC6A2SLC6A4BLMSLC6A3MEN1
SCHEMBL17748831 0.73 USP2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455284-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2019-03-20 EP disclosed
WO-2017196762-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2017-11-16 WO disclosed
WO-2017196763-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2017-11-16 WO disclosed
EP-3218425-A1 SILICONE COMPOUNDS The Procter and Gamble Company (US) 2017-09-20 EP disclosed
WO-2016077513-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2016-05-19 WO disclosed