SCHEMBL5266583

SCHEMBL5266583

C=Cc1ccc(C(C)(C)OCCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNA4 P43681 2/20 0.41
ALDH1A1 P00352 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HSD17B10 Q99714 1/20 0.30
PPARA Q07869 1/20 0.30
TSHR P16473 1/20 0.30
APP P05067 1/20 0.30

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
SCHEMBL5266569 0.90 ALDH1A1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5274018 0.82 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5198672 0.80 KIF11 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6693591 0.79 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6689706 0.78 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18156894 0.77 MAPT (0.47) ALDH1A1NR1I2LMNAHPGDMAPT
SCHEMBL9226771 0.77 MAPK1 (0.50) ALDH1A1SMN1; SMN2TSHR
SCHEMBL6692066 0.76 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695786 0.76 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6695337 0.75 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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