SCHEMBL5266569

SCHEMBL5266569

C=Cc1ccc(C(C)(C)OCCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5266583 0.90 CHRNB2 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5274018 0.85 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8386328 0.84 MAPK1 (0.42) ALDH1A1MAPK1MEN1KMT2AALOX15
SCHEMBL1224411 0.77 MAPK1 (0.56) ALDH1A1MAPK1MEN1KMT2AALOX15
SCHEMBL6692563 0.76 CHRNA7 (0.44) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18156896 0.76 MAPT (0.46) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL2556558 0.75 ALDH1A1 (0.48) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5268120 0.74 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6695301 0.73 CHRNA7 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6694167 0.73 CHRNA7 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

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-7220791-B2 Styrene-hypophosphite adduct, a process for preparation thereof, and its use CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2007-05-22 US disclosed
US-20040242738-A1 Styrene-hypophosphite adduct, a process for preparation thereof, and its use CLARIANT GMBH 2004-12-02 US disclosed
US-6486272-B1 METAL COMPOUND INTERACTS WITH A VINYL COMPOUND WITH A FUNCTIONAL GROUP TO MASK IT AND COPOLYMERIZING WITH A STYRENE IN THE PRESENCE OF TRANSITION METAL COMPOUND, OXYGEN COMPOUNDS WHICH FORM IONIC COMPLEXES, AND AN ORGANOMETALLIC COMPOUND IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-11-26 US disclosed
US-20020173605-A1 PROCESS FOR PRODUCING FUNCTIONAL STYRENE COPOLYMER AND FUNCTIONAL STYRENE COPOLYMER IDEMITSU KOSAN CO.,LTD. (JP) 2002-11-21 US disclosed
EP-1219649-A1 PROCESS FOR PRODUCING FUNCTIONAL STYRENE COPOLYMER AND FUNCTIONAL STYRENE COPOLYMER IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2002-07-03 EP disclosed