SCHEMBL7253138

SCHEMBL7253138

C=C(C)c1ccc(C(C)(C)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.43
TSHR P16473 2/20 0.36
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HDAC1 Q13547 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
CYP1A2 P05177 1/20 0.32
SRD5A2 P31213 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8677283 0.82 TSHR (0.36) TSHRMEN1KMT2AMAPTHDAC1
SCHEMBL465848 0.81 TSHR (0.52) TSHRMEN1KMT2AMAPTHDAC1
SCHEMBL11281234 0.81 ESR1 (0.43) TSHRMEN1KMT2AMAPTHDAC1
SCHEMBL1474670 0.79 CES2 (0.54) NR4A1NR4A2NR4A3SRD5A2CES2
SCHEMBL6563424 0.79 TSHR (0.37) TSHRMEN1KMT2AMAPTHDAC1
SCHEMBL11116753 0.77 TSHR (0.36) TSHRMAPTHDAC1NPC1RAB9A
SCHEMBL8349213 0.77 EPHX2 (0.47) PDE2AMEN1KMT2AMAPTHDAC1
SCHEMBL1706121 0.77 PDE2A (0.62) PDE2ATSHRAKT1AKT2MEN1
SCHEMBL56361 0.77 MAPT (0.40) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL34472322 0.77 PDE2A (0.44) PDE2AAKT1AKT2NR4A1NR4A2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340976-B1 Acrylic polymers PPG INDUSTRIES INC (US) 1995-06-28 EP claimed
US-5098974-A Protective coatings containing pigments PPG INDUSTRIES, INC. (US) 1992-03-24 US claimed
EP-0340976-A2 Acrylic polymers PPG INDUSTRIES, INC. (US) 1989-11-08 EP claimed
EP-0127802-B1 META- AND PARA-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYLAMINE AMERICAN CYANAMID COMPANY (US) 1988-04-20 EP claimed
US-4547265-A Method for sizing paper using hydrolyzed homopolymers or copolymers of meta- or para- isopropenyl-α,α-dimethylbenzylisocyanate AMERICAN CYANAMID COMPANY (US) 1985-10-15 US claimed
EP-0127802-A2 Meta- and para-isopropenyl-alpha,alpha-dimethylbenzylamine AMERICAN CYANAMID COMPANY (US) 1984-12-12 EP claimed
JP-1092227-A None JP disclosed
JP-63218714-A None JP disclosed
US-6630599-B1 Blocked derivatives of m- or p- isopropenyl- alpha , alpha -dimethylbenzyl isocyanates, comprising reacting a meta- or a para-isopropenyl-alpha, alpha-dimethylbenzyl carbamate ester with hydroxy functional blocking group, such as CYTEC TECHNOLOGY CORP. 2003-10-07 US disclosed
EP-0340976-B1 Acrylic polymers PPG INDUSTRIES INC (US) 1995-06-28 EP disclosed
US-5098974-A Protective coatings containing pigments PPG INDUSTRIES, INC. (US) 1992-03-24 US disclosed
US-4927969-A Preparation of alkyl primary amines PPG INDUSTRIES, INC. (US) 1990-05-22 US disclosed
US-4910249-A Containing a tertiary alkyl primary amine group PPG INDUSTRIES, INC. (US) 1990-03-20 US disclosed
JP-S63218714-A COPOLYMER HAVING AMINO GROUP ON SIDE CHAIN AND PRODUCTION THEREOF TAKEDA CHEM IND LTD 1988-09-12 JP disclosed
EP-0127802-B1 META- AND PARA-ISOPROPENYL-ALPHA,ALPHA-DIMETHYLBENZYLAMINE AMERICAN CYANAMID COMPANY (US) 1988-04-20 EP disclosed
US-4547265-A Method for sizing paper using hydrolyzed homopolymers or copolymers of meta- or para- isopropenyl-α,α-dimethylbenzylisocyanate AMERICAN CYANAMID COMPANY (US) 1985-10-15 US disclosed
US-4547265-A Method for sizing paper using hydrolyzed homopolymers or copolymers of meta- or para- isopropenyl-α,α-dimethylbenzylisocyanate AMERICAN CYANAMID COMPANY (US) 1985-10-15 US disclosed
EP-0127802-A2 Meta- and para-isopropenyl-alpha,alpha-dimethylbenzylamine AMERICAN CYANAMID COMPANY (US) 1984-12-12 EP disclosed
EP-0127802-A2 Meta- and para-isopropenyl-alpha,alpha-dimethylbenzylamine AMERICAN CYANAMID COMPANY (US) 1984-12-12 EP disclosed
EP-0127802-A2 Meta- and para-isopropenyl-alpha,alpha-dimethylbenzylamine AMERICAN CYANAMID COMPANY (US) 1984-12-12 EP disclosed