SCHEMBL7209894

SCHEMBL7209894

C=Cc1ccc(OC(Cc2ccccc2)OCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.43
PPARG P37231 15/20 0.43
PPARD Q03181 4/20 0.38
RELA Q04206 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL10652901 0.84 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL685851 0.83 CHRNB2 (0.41) RELAALDH1A1TSHRCHRNB2CHRNB4
SCHEMBL5352715 0.81 PPARG (0.47) PPARAPPARGALDH1A1TSHR
SCHEMBL6741792 0.81 LMNA (0.37) PPARAPPARGRELAALDH1A1TSHR
SCHEMBL6699138 0.80 TAS1R3 (0.40) RELAALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL6779557 0.79 LMNA (0.36) PPARAPPARGALDH1A1TSHRCHRNB2
SCHEMBL7181023 0.78 MEN1 (0.41) RELAALDH1A1TSHRCHRNB2CHRNB4
SCHEMBL6697119 0.78 CHRNB2 (0.38) PPARAPPARGALDH1A1CHRNB2CHRNB4
SCHEMBL6781472 0.77 PPARG (0.38) PPARAPPARGALDH1A1TSHRCHRNB2
SCHEMBL11922874 0.77 SLC7A5 (0.48) PPARAPPARGPPARDALDH1A1TSHR

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
EP-1344109-A2 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS Ciba SC Holding AG (CH) 2003-09-17 EP disclosed
WO-2002046507-A2 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-13 WO disclosed