SCHEMBL7775729

SCHEMBL7775729

CC#CCOC(C)c1ccc(OCC)c(OCC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
PDE4B Q07343 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
TNF P01375 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PAX8 Q06710 1/20 0.33
POLB P06746 1/20 0.33
HIF1A Q16665 1/20 0.32
ADRA2A P08913 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
SCHEMBL29359121 0.82 PPARG (0.46) ALDH1A1LMNAPDE4BHTTMAPT
SCHEMBL3649536 0.82 PPARG (0.46) ALDH1A1LMNAPDE4BHTTMAPT
SCHEMBL7772143 0.75 TUBB4A (0.44) LMNAPDE4BGAAMAPTKMT2A
SCHEMBL7767993 0.75 TSHR (0.50) GAANPSR1
SCHEMBL683930 0.73 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HTTGAA
SCHEMBL7064904 0.73 UGT2B7 (0.46) KMT2AMEN1HIF1AADRA2AADRA2B
SCHEMBL10361478 0.71 ALDH1A1 (0.48) ALDH1A1LMNAPDE4BSMN1; SMN2HTT
SCHEMBL6055134 0.71 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2HTTGAA
SCHEMBL14976645 0.70 ALDH1A1 (0.50) ALDH1A1LMNAPDE4BSMN1; SMN2HTT
SCHEMBL7775708 0.70 CYP2D6 (0.50) SMN1; SMN2KDM4EKMT2AMEN1NPSR1

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