SCHEMBL11228526

SCHEMBL11228526

CCCCCCCCC(O)(CO)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
LTA4H P09960 2/20 0.40
TNNC1 P63316 5/20 0.40
S1PR1 P21453 2/20 0.40
SGPL1 O95470 1/20 0.40
S1PR4 O95977 1/20 0.40
GPR183 P32249 1/20 0.40
CERS2 Q96G23 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
FDPS P14324 1/20 0.39
GAA P10253 1/20 0.39
SPHK2 Q9NRA0 1/20 0.39
CNR1 P21554 2/20 0.39
MLNR O43193 1/20 0.39
NR1I2 O75469 1/20 0.39
ESR1 P03372 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL29013471 1.00 PPARG (0.42) PPARGPPARALTA4HTNNC1S1PR1
SCHEMBL8465062 1.00 PPARG (0.42) PPARGPPARALTA4HTNNC1S1PR1
SCHEMBL9453368 0.92 PPARG (0.44) PPARGPPARALTA4HFDPSGAA
SCHEMBL11065588 0.92 PPARG (0.44) PPARGPPARALTA4HFDPSGAA
SCHEMBL1527669 0.92 PPARG (0.44) PPARGPPARALTA4HFDPSGAA
SCHEMBL2391802 0.92 PPARG (0.44) PPARGPPARALTA4HFDPSGAA
Acrylic Acid SCHEMBL496491 0.89 THRB (0.42) PPARGPPARAFDPSGAA
SCHEMBL11874226 0.89 PPARG (0.43) PPARGPPARALTA4HFDPSGAA
SCHEMBL8745741 0.89 PPARG (0.43) PPARGPPARALTA4HFDPSGAA
SCHEMBL28021994 0.89 PPARG (0.43) PPARGPPARALTA4HFDPSGAA

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
US-4357159-A Haloethylthienylsulphonates for the regulation of plant metabolism CIBA-GEIGY CORPORATION (US) 1982-11-02 US disclosed
US-4149873-A Composition for the regulation of plant metabolism CIBA-GEIGY CORPORATION (US) 1979-04-17 US disclosed
US-3986863-A OCTYLAMINE OR OCTYLAMINE HYDROCHLORIDE CIBA-GEIGY CORPORATION (US) 1976-10-19 US disclosed
US-3974166-A FUNGICIDE CIBA-GEIGY CORPORATION (US) 1976-08-10 US disclosed
US-3971647-A N,N-DIISOPROPYL-N'-METHYL-N'-DODECYL-FORMAMIDINIUM METHOSULFATE OR IODIDE CIBA-GEIGY CORPORATION (US) 1976-07-27 US disclosed