SCHEMBL7775712

SCHEMBL7775712

C=CCOC(C)c1ccc(OC)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 2/20 0.47
PPARA Q07869 2/20 0.47
NR3C1 P04150 4/20 0.42
PGR P06401 4/20 0.42
NR3C2 P08235 2/20 0.42
CCR3 P51677 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
MAPT P10636 2/20 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
SCHEMBL7775711 0.79 PPARG (0.43) ALDH1A1PPARGPPARDPPARACCR3
SCHEMBL7775709 0.79 PPARG (0.43) ALDH1A1PPARGPPARDPPARACCR3
SCHEMBL7775710 0.79 PPARG (0.43) ALDH1A1PPARGPPARDPPARACCR3
SCHEMBL11259115 0.78 ALDH1A1 (0.47) ALDH1A1CA1CA2KDM4ECYP1A2
SCHEMBL10152999 0.77 KDM4E (0.54) ALDH1A1PPARGPPARDPPARAACHE
SCHEMBL14032494 0.77 ALDH1A1 (0.50) ALDH1A1PPARGPPARDPPARACCR3
SCHEMBL11272926 0.75 IDO1 (0.38) NR3C1PGRACHEKDM4EKMT2A
SCHEMBL25238261 0.75 KDM4E (0.55) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL7063350 0.75 ACHE (0.50) ALDH1A1PPARGPPARDPPARACA1
SCHEMBL27584367 0.74 PPARG (0.44) ALDH1A1PPARGPPARDPPARACA1

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
US-6320085-B1 REACTING BENZYL ALCOHOL DERIVATIVE WITH 1 TO 3 MOLAR EQUIVALENTS OF SPECIFIED ALCOHOL IN PRESENCE OF ACID, LEWIS ACID, METAL OXIDE OR METAL CARBONATE, ISOLATING RESULTING ETHER, STABILIZING BY ADDITION OF BASE AND/OR ANTIOXIDANT AGRO-CHEMIE NOVENYVEDOSZER GYARTO ERTEKESITO EST FORGALMAZO KFT. (HU) 2001-11-20 US disclosed
EP-0939749-B1 PROCESS FOR THE PREPARATION OF BENZYL-ETHERS AGRO CHEMIE NOEVENYVEDOESZER G (HU) 2001-07-18 EP disclosed